data_2n9w_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 2n9w _Structure_validation_residue.Date_analyzed 2016-12-02 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 ' 4' ' ' ILE . . . . . . . . . . . . . 5.9 mm . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.773 0.321 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.52 130.06 44.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 0.0 110.696 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 m -80.51 145.48 31.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.995 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.27 -46.89 95.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -61.51 -40.7 95.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.908 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -66.39 -36.84 83.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.442 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.46 -38.96 92.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.46 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.53 -37.18 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.739 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.98 -55.66 31.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.696 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.569 ' NH2' ' CB ' ' A' ' 69' ' ' ALA . 83.1 mtp180 -70.47 -37.63 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.619 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.56 -9.77 58.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.809 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' PHE . 88.8 tttt -58.85 -45.42 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.55 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.3 t 45.88 -87.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 15' ' ' LYS . 78.2 t80 -134.1 141.49 47.16 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.182 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.05 112.65 0.46 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -134.31 154.27 79.83 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.732 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -53.71 147.3 40.77 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 121.878 1.719 . . . . 0.0 112.381 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.7 mt -79.17 130.22 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.338 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.7 -39.79 66.27 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 76.18 -67.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.667 0.27 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 t -78.14 -20.26 52.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.782 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -75.06 -17.19 60.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.67 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -55.42 -16.34 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.19 -24.38 28.73 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.2 tt -69.5 -23.24 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.0 mt -89.35 -31.09 17.95 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.365 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.02 -26.0 68.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.228 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.88 -38.02 89.53 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.692 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 32' ' ' LEU . 8.0 mp -61.35 -49.62 76.2 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.429 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.69 -38.8 64.75 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' HIS . 38.8 tp -62.42 -40.72 97.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.871 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.458 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 2.5 p -42.73 -19.28 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.156 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 34' ' ' LEU . 80.3 m80 -75.26 -11.57 60.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.675 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -85.06 -36.7 21.04 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.876 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 43' ' ' GLN . . . -76.65 152.54 35.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 36' ' ' HIS . 43.2 mmtm -147.76 157.17 43.41 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 110.196 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.45 -167.9 37.74 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 9.5 ptm180 -66.08 -22.72 66.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.843 0.354 . . . . 0.0 110.702 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.05 -35.45 80.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.906 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 59.7 tt0 -65.47 -55.21 19.17 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.078 0.465 . . . . 0.0 110.552 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 47' ' ' SER . 48.3 mt -71.85 -42.28 69.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.878 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 41' ' ' ARG . . . -50.67 -32.6 19.69 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -60.25 -31.1 69.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 44' ' ' ILE . 60.2 p -55.13 -34.33 63.65 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.709 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -79.77 -18.15 51.73 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.09 -66.42 0.56 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.81 -21.14 64.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.9 0.381 . . . . 0.0 110.971 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -40.37 -58.55 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.203 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -65.56 -42.32 91.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.981 0.419 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -62.98 -31.47 72.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.262 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mt -63.9 -24.84 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -49.8 -19.94 0.76 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.123 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.29 -37.75 88.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.631 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CE2' ' NZ ' ' A' ' 74' ' ' LYS . 37.7 m-85 -55.94 -43.01 77.04 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.56 -43.56 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.562 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.25 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.717 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.99 -41.33 71.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -138.25 65.28 42.24 Favored Pre-proline 0 N--CA 1.467 0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.58 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.85 -19.18 21.16 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.583 2.189 . . . . 0.0 112.109 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.4 p -73.29 -25.8 60.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.688 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.8 t -83.12 138.88 33.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.62 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.21 -14.56 74.16 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -65.16 -35.47 81.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.5 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.449 ' O ' ' OG1' ' A' ' 71' ' ' THR . 9.2 m120 -53.86 -34.78 60.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.195 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.99 -41.24 74.51 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.504 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.569 ' CB ' ' NH2' ' A' ' 13' ' ' ARG . . . -75.17 -48.84 21.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.45 -43.93 97.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.647 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 67' ' ' ASN . 25.0 m -60.87 -53.17 60.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.824 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -69.1 -42.18 76.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.451 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.463 ' C ' ' CD1' ' A' ' 73' ' ' LEU . 3.1 tm? -66.03 -55.84 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.422 -0.511 . . . . 0.0 112.014 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' NZ ' ' CE2' ' A' ' 57' ' ' TYR . 40.4 mtmt -61.14 -38.87 87.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.275 0.56 . . . . 0.0 109.521 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -53.15 -27.51 21.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.743 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -73.31 -68.58 0.48 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.661 ' O ' ' N ' ' A' ' 80' ' ' ALA . 13.8 p -87.67 -55.03 6.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.496 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -46.56 -41.65 14.68 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 121.116 -0.99 . . . . 0.0 108.707 -176.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.629 ' C ' ' H ' ' A' ' 81' ' ' LEU . 16.0 m -69.11 -31.37 70.04 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.016 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.661 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -46.49 -5.81 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.122 0.264 . . . . 0.0 111.39 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.629 ' H ' ' C ' ' A' ' 79' ' ' SER . 85.6 mt . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.424 HD13 ' N ' ' A' ' 4' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 121.087 0.47 . . . . 0.0 110.745 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -58.03 165.3 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.266 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.6 p -74.24 155.76 37.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.13 0.491 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.3 m -67.26 -21.85 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.699 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -49.18 -46.14 45.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.73 -38.34 76.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.9 0.381 . . . . 0.0 110.482 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.24 -41.4 94.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.753 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.67 -40.99 94.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.632 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.07 -50.92 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.747 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -70.91 -37.88 72.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -9.85 58.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.675 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 ttpm? -57.02 -46.11 82.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.652 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t 39.66 -107.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.606 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -149.64 152.75 35.92 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.372 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 41.31 84.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -45.81 111.31 1.36 Allowed Pre-proline 0 N--CA 1.45 -0.473 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.385 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.77 146.28 67.39 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.298 1.999 . . . . 0.0 111.81 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.6 tt -66.1 138.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.547 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.0 161.73 52.32 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.1 -136.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.67 0.272 . . . . 0.0 110.551 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.1 t -80.1 -19.6 47.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.763 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 14.1 p90 -75.81 -17.65 59.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.666 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -58.01 -20.42 38.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.32 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.36 -20.8 7.57 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.8 tt -68.11 -24.87 30.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.776 0.322 . . . . 0.0 110.487 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.7 tp -91.15 -27.89 18.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.544 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.33 -41.53 97.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.709 HE22 ' HZ2' ' A' ' 53' ' ' LYS . 78.3 mt-30 -65.26 -42.31 93.39 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.34 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 mt -59.36 -44.44 92.69 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.755 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -68.71 -47.87 65.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.04 0.447 . . . . 0.0 110.507 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.91 -44.27 85.73 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.259 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.6 t -59.39 -22.85 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.536 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -71.22 -37.21 72.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 1.3 tm0? -88.11 -11.69 46.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.448 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.05 152.6 44.19 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.86 0.362 . . . . 0.0 110.616 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -157.47 141.77 16.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.395 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.22 -149.67 16.66 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -69.4 -27.35 65.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 40.1 p-10 -66.59 -35.6 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.69 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.474 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.6 tt0 -65.93 -39.47 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.49 -43.03 96.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.889 0.376 . . . . 0.0 110.238 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.15 -26.98 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.542 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.54 90.71 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.141 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 t -62.04 -46.14 90.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -63.58 -42.37 98.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.635 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -66.82 -51.58 53.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.492 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.04 -39.06 93.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.46 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.544 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 25.6 t30 -57.4 -50.16 73.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.81 -43.12 97.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.59 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.709 ' HZ2' HE22 ' A' ' 31' ' ' GLN . 37.9 ttmt -63.49 -47.61 81.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.582 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -66.21 -44.58 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.544 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 90.3 m-20 -62.55 -41.57 98.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.592 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.06 -38.9 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.583 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -57.49 -38.14 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.415 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' PRO . 97.3 mt -62.12 -43.42 97.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.304 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.49 79.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.453 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.14 -41.46 63.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -135.02 65.24 64.72 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.559 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' ILE . 55.6 Cg_endo -72.94 -21.09 21.39 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.698 2.265 . . . . 0.0 112.018 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.65 -22.82 34.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.441 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.0 m -67.56 142.46 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.461 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.76 -16.61 65.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -67.29 -35.25 79.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.802 0.334 . . . . 0.0 110.827 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 50.3 p30 -61.28 -18.74 59.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.597 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.458 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 86.3 mt-30 -63.41 -39.31 94.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.401 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.4 -20.9 39.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.321 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.61 -40.89 69.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 t -66.0 -20.56 66.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.69 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.68 -31.3 72.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.621 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.47 -39.4 87.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.738 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.13 -46.33 88.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.429 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 78' ' ' THR . 71.1 mm-40 -71.65 -35.56 70.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.933 0.397 . . . . 0.0 111.117 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.41 -40.12 95.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.045 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -50.07 -42.15 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.122 -178.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.452 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 12.1 p -68.18 -38.07 81.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.108 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.1 m -67.31 -39.24 85.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.606 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.42 -54.41 44.14 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.74 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.92 179.006 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 5' ' ' PHE . 96.6 mt . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.892 0.377 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.435 ' N ' ' CG2' ' A' ' 4' ' ' ILE . 64.2 m-85 -71.86 140.28 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.6 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -76.68 144.94 39.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.73 -42.34 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -51.98 -33.73 39.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.619 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -65.89 -41.54 91.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.652 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.54 -38.15 88.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.84 -42.31 93.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.15 -49.42 69.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -70.7 -34.85 72.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.638 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -10.08 58.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.614 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.5 tttt -65.44 -47.37 76.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LYS . 1.5 m 30.05 -105.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 123.436 0.46 . . . . 0.0 110.693 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' O ' ' O ' ' A' ' 18' ' ' ALA . 97.1 m-85 -111.61 120.78 43.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.424 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . 52.55 172.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.652 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -88.92 156.95 49.24 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.717 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.95 139.89 32.52 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 122.027 1.818 . . . . 0.0 112.119 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.597 ' H ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -79.48 141.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.677 179.742 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' A' ' 24' ' ' SER . . . 78.23 -20.49 3.97 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 21' ' ' ILE . . . 52.52 6.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.607 0.241 . . . . 0.0 110.732 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 22' ' ' GLY . 19.3 m -82.27 -16.96 47.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.937 0.398 . . . . 0.0 110.606 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -75.04 -17.83 60.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.74 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.57 -15.91 3.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.51 -29.82 48.65 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 tt -69.38 -23.9 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 0.0 110.502 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.7 mt -90.09 -41.78 11.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.332 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.89 -36.31 82.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.765 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -63.65 -31.38 72.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.811 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.4 -40.18 93.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.263 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.8 -35.97 79.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.859 0.361 . . . . 0.0 110.412 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.5 mp -65.34 -31.12 72.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.656 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.7 -42.76 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.515 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -71.77 -38.33 70.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.661 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -81.92 -25.45 34.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.518 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -76.02 158.09 32.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -154.88 147.1 23.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.224 0.535 . . . . 0.0 110.714 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.95 -128.22 28.55 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.11 -34.49 76.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.873 0.368 . . . . 0.0 110.599 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.31 -41.01 98.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.422 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.5 -40.78 89.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 110.644 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.5 -42.8 96.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.333 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.28 -42.68 66.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.96 96.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.127 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.45 ' OG ' ' CG1' ' A' ' 77' ' ' VAL . 70.4 m -62.06 -43.52 98.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.904 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -61.88 -46.56 88.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -69.43 -42.63 74.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.36 -39.39 92.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.454 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.57 -41.85 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.126 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.98 -45.13 90.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -63.65 -44.54 93.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.642 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.0 mt -67.05 -46.92 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.448 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.6 -42.28 95.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.87 -38.35 90.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.548 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -57.02 -42.33 80.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.314 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' PRO . 97.6 mt -62.81 -44.17 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.1 85.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -71.79 -40.64 69.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.767 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -136.9 65.97 54.01 Favored Pre-proline 0 N--CA 1.466 0.354 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.588 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ILE . 56.1 Cg_endo -72.56 -23.49 19.84 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.647 2.231 . . . . 0.0 111.851 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.2 p -78.76 -24.12 44.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.62 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 m -72.06 143.15 49.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.402 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.25 -9.35 73.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -67.35 -36.7 81.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.836 0.35 . . . . 0.0 110.598 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -58.78 -17.27 21.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.425 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -58.65 -46.73 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.643 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.55 -36.58 68.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.987 0.422 . . . . 0.0 110.474 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.18 -38.6 91.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.1 m -62.88 -25.96 68.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.672 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -62.34 -30.54 71.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.917 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.85 -40.94 97.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.285 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' OG1' ' A' ' 78' ' ' THR . 8.2 ttpm? -59.95 -45.29 93.12 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.496 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.75 -44.31 81.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.88 -53.57 48.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.604 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.45 ' CG1' ' OG ' ' A' ' 47' ' ' SER . 78.9 t -61.43 -46.57 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.444 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 74' ' ' LYS . 73.2 m -60.33 -44.56 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.0 p -64.22 -32.49 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.485 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.32 85.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.651 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.4 mt . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 120.829 0.347 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.25 134.22 56.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.111 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 7' ' ' VAL . 27.2 m -100.99 168.33 9.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.404 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.4 ' N ' ' CG2' ' A' ' 6' ' ' THR . 73.7 t -60.71 -45.36 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.564 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.665 HE22 ' NZ ' ' A' ' 11' ' ' LYS . 99.5 mm-40 -53.14 -39.49 63.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 110.64 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -70.28 -33.57 71.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.808 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.0 -19.98 61.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.205 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.665 ' NZ ' HE22 ' A' ' 8' ' ' GLN . 98.0 mttt -58.18 -39.02 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.552 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.19 -41.0 99.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -70.3 -39.05 75.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . -75.85 -9.58 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.671 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.18 -41.71 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -75.99 -22.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.713 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 14' ' ' ALA . 64.9 m-85 -98.11 146.36 25.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.363 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.24 72.71 1.01 Allowed 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.078 0.466 . . . . 0.0 110.511 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' H ' ' CD ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -91.25 166.26 19.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.282 -179.308 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.87 147.79 79.41 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.363 2.042 . . . . 0.0 112.16 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.2 mm -75.02 132.7 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.367 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.8 95.57 0.95 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.33 -167.78 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 m -77.06 -22.06 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.539 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -70.68 -37.9 73.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.508 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -64.01 -29.97 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.411 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.96 -34.3 88.42 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.86 -25.28 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.675 0.274 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.9 tp -91.87 -42.18 10.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.826 0.346 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -60.18 -49.23 78.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.619 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.25 -25.66 67.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.232 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.44 -41.83 94.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -61.72 -37.0 82.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.0 mp -64.4 -37.73 88.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.695 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.8 t -54.2 -26.14 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.599 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -81.95 -46.44 14.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.2 -3.87 58.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.578 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -72.49 142.11 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.705 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -75.64 176.25 7.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.618 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.05 -44.31 73.1 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -74.83 -46.78 34.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.954 0.407 . . . . 0.0 110.785 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -66.24 -31.27 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.962 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.65 -37.25 86.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.468 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.6 mt -64.5 -43.91 96.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.375 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.78 -40.99 85.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.93 89.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.187 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 m -60.8 -41.94 96.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -61.72 -44.79 96.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.655 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -65.78 -49.15 69.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.963 0.411 . . . . 0.0 110.408 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.03 -34.45 78.03 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.726 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -56.55 -52.78 63.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.124 -178.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 53' ' ' LYS . 16.9 ptpt -67.06 -41.16 86.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.364 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 96.3 mttt -63.24 -45.31 92.15 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.758 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.02 -47.41 85.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.621 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -65.19 -43.55 91.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.019 0.438 . . . . 0.0 110.91 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.86 -44.9 91.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.908 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -59.99 -49.84 76.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.433 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.65 -44.62 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.466 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.75 -25.02 67.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.518 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -68.65 -41.9 78.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.573 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -144.99 71.63 14.82 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.645 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -56.1 -34.6 93.26 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.815 2.344 . . . . 0.0 111.925 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.4 m -73.19 0.85 10.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.697 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.9 m -56.88 -40.45 76.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.17 -50.59 3.99 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -64.22 -38.91 92.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.853 0.359 . . . . 0.0 110.427 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 70' ' ' LEU . 6.0 m120 -63.98 -19.18 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.205 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -46.53 -32.54 3.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.497 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.31 -20.68 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.962 0.411 . . . . 0.0 110.58 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' ASN . 5.3 tp -63.16 -40.09 96.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.672 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -56.85 -19.08 15.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.278 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -58.59 -39.36 80.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.348 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.1 mt -62.28 -40.63 96.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 51' ' ' ASN . 54.3 tttp -59.88 -47.6 85.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.648 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.6 -44.74 81.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.72 -53.4 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.6 t -61.2 -46.37 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.459 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.9 m -60.82 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.608 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.8 p -64.25 -33.52 76.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.531 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.75 89.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.7 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 4' ' ' ILE . 89.1 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.827 0.346 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.432 ' CD1' ' NE2' ' A' ' 76' ' ' GLN . 5.2 m-85 -72.9 142.45 47.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.556 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -71.39 146.35 48.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.58 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.6 p -62.64 -36.89 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.657 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -59.45 -41.76 90.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.06 -46.24 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.617 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.13 -36.81 82.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -58.26 -43.6 87.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.76 -42.15 95.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.635 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.13 -39.23 75.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.661 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.96 -10.43 59.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' PHE . 45.1 tptt -60.79 -43.46 98.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.6 t 46.5 -89.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.617 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 89.1 t80 -151.22 166.14 31.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.579 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.555 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . 52.46 173.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 114.26 13.5 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.06 140.99 23.22 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.537 2.158 . . . . 0.0 112.121 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -91.89 127.8 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.465 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . 41.18 -116.61 0.92 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . 81.28 155.76 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.823 0.344 . . . . 0.0 110.447 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.7 p -81.05 -12.89 59.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -67.34 -19.47 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.686 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.62 -22.9 66.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.74 -26.3 60.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mm -69.32 -42.08 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.773 0.32 . . . . 0.0 110.804 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.4 tp -89.76 -36.25 15.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.729 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -60.84 -35.48 76.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.226 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.471 HE21 ' CB ' ' A' ' 46' ' ' ALA . 56.1 tp60 -64.22 -38.41 90.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.473 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 mt -60.28 -42.77 96.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.785 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 64.6 t0 -62.54 -38.49 90.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.287 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 38' ' ' ALA . 89.4 mt -63.57 -38.96 93.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -42.64 90.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -73.44 -36.17 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -83.84 -24.86 30.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.639 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -77.11 155.07 32.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -156.93 140.71 16.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.45 0.643 . . . . 0.0 110.312 -179.349 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.74 -138.27 14.74 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -63.79 -39.58 94.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 110.67 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 46.2 p-10 -61.12 -24.47 66.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -178.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 59.2 tt0 -67.57 -38.78 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.495 ' N ' ' CD1' ' A' ' 44' ' ' ILE . 1.9 mp -64.55 -43.58 96.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.65 -54.25 46.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.471 ' CB ' HE21 ' A' ' 31' ' ' GLN . . . -63.32 -42.68 99.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.624 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -63.13 -50.21 71.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.919 0.39 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -64.35 -46.45 83.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.765 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -66.56 -37.17 84.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.472 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.11 -39.41 86.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.616 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.655 HD22 ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -57.8 -42.26 83.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.231 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -64.44 -40.35 95.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.779 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.49 -44.62 95.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.778 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -45.18 93.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.541 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.655 ' ND2' HD22 ' A' ' 51' ' ' ASN . 89.4 m-20 -63.32 -45.36 91.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -65.32 -41.71 93.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.788 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -58.32 -43.92 88.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.374 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.25 -44.52 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.18 93.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.503 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -70.27 -41.51 73.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.791 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -138.02 70.1 49.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.74 -15.6 21.34 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.659 2.239 . . . . 0.0 112.086 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.6 p -98.35 1.85 47.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.387 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.4 p -62.32 -34.81 77.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.684 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.85 -39.39 2.72 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -70.41 -19.34 63.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.705 0.288 . . . . 0.0 110.57 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 51.2 p-10 -67.02 -17.66 65.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.607 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.466 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 65.1 tt0 -56.69 -34.5 67.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.07 70.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.3 mp -63.72 -40.92 97.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.896 0.379 . . . . 0.0 110.536 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.8 m -51.22 -36.73 43.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -62.13 -40.04 94.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 73' ' ' LEU . 4.0 mm? -61.92 -40.99 97.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.737 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' CD ' ' OD1' ' A' ' 55' ' ' ASN . 25.7 ttpp -57.58 -47.35 82.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.572 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 78' ' ' THR . 98.5 mt-10 -66.64 -38.14 86.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.64 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.432 ' NE2' ' CD1' ' A' ' 5' ' ' PHE . 81.8 mt-30 -64.64 -45.77 85.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 81' ' ' LEU . 72.4 t -60.4 -46.92 94.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.542 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 75' ' ' GLU . 33.7 p -52.11 -39.79 60.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.58 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 t -68.57 -59.42 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.09 -28.42 69.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 77' ' ' VAL . 44.4 tp . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.556 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.868 0.366 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.0 132.96 52.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.303 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 m -79.09 159.57 27.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.7 m -63.71 -37.78 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.663 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -52.51 -47.09 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.828 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.37 -36.65 77.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.653 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 14' ' ' ALA . 4.8 tp -64.17 -36.23 83.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.66 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.25 -41.74 80.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.735 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.61 -47.05 80.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.663 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -74.58 -23.81 58.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.25 -9.94 59.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.736 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 17' ' ' PHE . 10.2 mtpm? -58.52 -45.41 88.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.7 t 39.24 -90.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.898 0.38 . . . . 0.0 110.95 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' LYS . 90.8 t80 -150.79 163.79 37.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.501 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -63.09 115.45 4.47 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -136.29 149.2 67.16 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.046 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -46.85 142.29 10.78 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.087 1.858 . . . . 0.0 112.247 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 pt -88.8 146.26 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.573 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.99 164.11 34.1 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.29 -25.37 63.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.911 0.386 . . . . 0.0 110.643 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 m -80.24 -18.03 50.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -70.59 -46.75 62.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -69.01 -16.86 63.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.632 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' C ' ' NZ ' ' A' ' 53' ' ' LYS . . . -52.19 -30.36 31.52 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.438 ' N ' ' HZ1' ' A' ' 53' ' ' LYS . 19.6 tt -69.36 -27.39 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.923 0.392 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -91.35 -39.74 11.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.658 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 64.2 t0 -60.23 -39.14 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.52 HE21 ' CB ' ' A' ' 46' ' ' ALA . 69.7 tp60 -65.19 -36.65 84.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.277 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -51.43 69.6 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.439 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -63.38 -35.83 81.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.378 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.9 tp -62.45 -40.9 98.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.742 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.9 t -55.34 -22.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.292 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -84.16 -46.02 12.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -85.78 -10.81 54.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.974 0.416 . . . . 0.0 110.568 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -72.2 140.39 48.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' GLN . 31.7 mmtm -81.12 175.15 10.9 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.73 -25.76 9.71 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -86.75 -59.05 2.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.812 0.339 . . . . 0.0 110.664 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -65.64 -28.38 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 39' ' ' LYS . 56.1 tt0 -64.16 -41.11 97.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.284 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.447 ' O ' ' OG ' ' A' ' 47' ' ' SER . 87.3 mt -65.01 -43.31 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.408 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.06 -35.19 70.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.52 ' CB ' HE21 ' A' ' 31' ' ' GLN . . . -62.49 -36.31 82.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.342 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 44' ' ' ILE . 64.4 p -62.19 -45.16 94.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -63.34 -45.94 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -67.39 -48.57 66.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.455 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.69 -40.45 97.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 51' ' ' ASN . 0.8 OUTLIER -59.0 -48.44 81.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.595 -179.37 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -64.04 -39.76 94.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.359 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' NZ ' ' C ' ' A' ' 27' ' ' GLY . 37.7 ttmt -62.43 -45.99 90.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.554 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.414 HD11 HG22 ' A' ' 54' ' ' ILE . 92.5 mt -65.92 -44.64 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -63.27 -41.14 98.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.86 -39.35 94.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.66 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.78 -43.47 90.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.95 -44.78 99.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.374 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.44 83.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -71.67 -40.57 69.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.619 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -137.5 66.57 50.96 Favored Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.716 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.32 -15.33 22.62 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.762 2.308 . . . . 0.0 111.912 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.1 p -91.99 -15.28 28.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 t -61.08 -44.9 96.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.37 -19.51 8.44 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -72.11 -20.44 61.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.845 0.355 . . . . 0.0 110.59 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' LEU . 88.8 m-20 -65.93 -23.69 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.302 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -44.73 -30.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.617 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.76 -36.81 70.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.285 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' ASN . 58.1 mt -67.18 -37.35 83.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.948 0.404 . . . . 0.0 110.613 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -58.47 -29.98 66.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.71 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.11 -37.66 85.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.74 -40.57 97.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.333 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -56.61 -49.65 74.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.516 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.93 -35.42 78.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.684 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -63.55 -53.38 52.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.655 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.16 -44.05 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.381 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 79.4 m -58.63 -44.72 90.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.1 p -64.96 -34.81 79.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.45 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 5' ' ' PHE . 96.4 mt . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.801 0.334 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.525 ' CZ ' ' OE1' ' A' ' 72' ' ' GLN . 59.9 m-85 -68.59 135.11 50.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.451 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -73.44 149.5 42.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.554 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -60.56 -41.16 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.714 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -55.18 -41.64 72.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.728 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.23 -35.39 68.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.793 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 92.1 mt -67.39 -29.42 68.93 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.01 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -52.28 -39.63 60.71 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.933 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.14 -58.12 6.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.831 0.348 . . . . 0.0 111.262 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 88.6 mtm180 -70.05 -36.97 75.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . -69.01 -10.02 55.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.492 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.584 ' NZ ' ' CD1' ' A' ' 17' ' ' PHE . 14.8 tmtt? -58.94 -47.05 86.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.721 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.548 ' O ' ' O ' ' A' ' 15' ' ' LYS . 41.9 t 49.81 118.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.32 0.581 . . . . 0.0 111.07 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.584 ' CD1' ' NZ ' ' A' ' 15' ' ' LYS . 87.6 m-85 -67.81 136.73 54.61 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.79 41.82 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.121 0.486 . . . . 0.0 110.535 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.93 159.22 0.27 Allowed Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.913 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.32 151.23 53.73 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.425 2.083 . . . . 0.0 112.083 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.6 pt -66.55 152.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.724 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.55 18.44 60.23 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 41.76 77.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.834 0.35 . . . . 0.0 110.776 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -82.12 -15.61 52.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -73.75 -18.62 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.555 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -61.85 -43.99 97.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.579 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.3 -31.25 78.47 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.5 mm -70.05 -23.35 25.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-O 120.798 0.332 . . . . 0.0 110.538 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tt -92.66 -42.55 9.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.776 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -58.67 -45.55 89.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.647 HE21 ' HZ1' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -64.21 -40.81 96.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.154 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 32' ' ' LEU . 3.5 mm? -61.64 -42.57 99.09 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.389 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -65.35 -34.22 77.8 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.043 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 50.9 tp -64.9 -41.92 95.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.014 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.98 -27.15 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.352 -178.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -79.5 -40.18 30.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.241 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -84.42 -21.98 30.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.617 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -77.4 159.91 29.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -160.88 139.64 10.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.65 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.61 -125.07 9.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 9.6 mpt_? -63.79 -36.44 83.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.803 0.335 . . . . 0.0 110.632 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -62.53 -38.35 89.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.625 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.27 -39.8 89.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.623 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.35 -42.35 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.383 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.31 -40.53 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.99 92.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.533 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.1 t -62.07 -42.77 99.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.27 -46.0 92.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.612 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -67.22 -45.95 75.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.452 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 mt -62.58 -40.74 97.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.723 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -57.6 -43.68 84.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.135 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -64.2 -44.03 93.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.495 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.647 ' HZ1' HE21 ' A' ' 31' ' ' GLN . 53.0 mtmt -64.17 -47.75 78.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.699 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.27 -44.95 87.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.403 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -65.02 -43.99 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.08 -38.94 92.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.602 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.32 -40.37 74.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.355 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 58' ' ' ILE . 97.5 mt -62.92 -44.3 99.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.429 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.52 84.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.95 -41.83 64.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.896 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -135.0 66.22 67.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.523 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.56 -25.14 21.36 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.671 2.247 . . . . 0.0 111.926 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 79.5 p -77.17 -24.27 51.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.432 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.8 t -67.65 141.21 56.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.547 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.88 -17.88 60.69 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 13' ' ' ARG . 47.0 mmm-85 -65.58 -23.95 66.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.59 0.233 . . . . 0.0 110.659 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 57.7 p30 -63.68 -16.78 61.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.49 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 53.1 mt-30 -63.75 -39.58 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.12 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -64.2 -40.78 96.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.866 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -63.08 -24.28 67.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.623 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.525 ' OE1' ' CZ ' ' A' ' 5' ' ' PHE . 56.7 tt0 -66.15 -36.31 82.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.3 -40.22 95.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.523 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -58.42 -43.9 88.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.55 -40.47 84.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.13 -54.74 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.45 -46.0 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.459 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.6 m -61.0 -44.36 97.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.6 t -63.43 -40.98 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.08 -50.46 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.593 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.463 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.755 0.312 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -67.62 135.86 53.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.41 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 p -79.36 163.75 24.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.476 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -61.72 -46.75 95.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.777 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.48 -49.02 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.329 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.87 -35.62 77.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.017 0.437 . . . . 0.0 110.254 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.27 -35.54 81.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.731 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.75 -41.65 91.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.851 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -61.88 -52.67 63.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -70.03 -38.66 75.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.691 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.22 -9.67 58.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.663 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.523 ' O ' ' O ' ' A' ' 16' ' ' VAL . 38.3 ttpt -57.04 -46.36 82.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.647 ' CG2' ' H ' ' A' ' 17' ' ' PHE . 11.8 p 42.98 -177.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 123.706 0.629 . . . . 0.0 111.256 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.647 ' H ' ' CG2' ' A' ' 16' ' ' VAL . 86.7 t80 -70.05 131.96 45.14 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 70.45 166.55 0.29 Allowed 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.619 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -98.91 114.07 65.13 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.476 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -53.42 146.91 39.55 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.432 2.088 . . . . 0.0 112.497 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -50.67 136.95 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.49 -177.99 42.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 75.11 -67.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.009 0.433 . . . . 0.0 110.496 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -73.99 -38.53 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.573 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -74.78 -22.55 58.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -66.17 -31.87 72.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.746 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.56 -18.07 79.37 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 28' ' ' ILE . 31.7 mm -65.56 -42.52 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 C-N-CA 121.331 -0.148 . . . . 0.0 110.962 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -26.72 18.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.889 0.376 . . . . 0.0 110.823 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.39 -35.21 75.22 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.404 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.522 HE21 ' CB ' ' A' ' 46' ' ' ALA . 64.9 tp60 -66.12 -34.92 79.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.608 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 4.1 mm? -62.14 -46.68 87.92 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 68.2 t0 -67.98 -35.33 78.17 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.259 0.552 . . . . 0.0 110.475 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' ALA . 39.0 tp -63.39 -39.44 94.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.265 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -28.13 13.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.481 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -79.38 -44.21 21.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.619 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -84.99 -8.55 58.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.153 0.502 . . . . 0.0 110.199 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -68.52 142.07 55.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.505 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 43' ' ' GLN . 14.4 tmtt? -72.73 158.48 35.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.83 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . . . -33.87 -74.47 0.07 OUTLIER Glycine 0 CA--C 1.532 1.141 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.34 -42.47 91.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.537 -0.39 . . . . 0.0 110.564 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.63 -24.0 67.36 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.673 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.595 ' N ' ' O ' ' A' ' 39' ' ' LYS . 50.8 tt0 -69.14 -32.28 71.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.435 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.03 -43.05 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.333 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.75 77.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.709 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.522 ' CB ' HE21 ' A' ' 31' ' ' GLN . . . -62.07 -43.77 98.12 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.6 m -62.17 -46.86 87.06 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.97 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -63.91 -47.27 81.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.622 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -68.15 -41.08 82.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.47 -36.25 79.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.302 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -57.87 -40.65 80.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.223 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -43.3 95.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.7 -47.28 84.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.443 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.3 -44.35 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.431 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.12 -41.78 98.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.631 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.52 -40.04 95.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.532 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CZ ' ' NE2' ' A' ' 61' ' ' HIS . 46.8 t80 -59.06 -40.72 86.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.327 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.47 -43.13 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.302 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.93 86.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.344 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -76.6 -1.71 28.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.517 ' NE2' ' CZ ' ' A' ' 57' ' ' TYR . 32.2 m80 -127.45 63.08 57.54 Favored Pre-proline 0 N--CA 1.466 0.37 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.455 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.7 -20.99 52.3 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.667 2.245 . . . . 0.0 111.836 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -14.77 58.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.404 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m 69.21 149.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.2 -107.21 0.26 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.435 ' NH1' ' H ' ' A' ' 16' ' ' VAL . 24.8 mmt85 -78.76 -10.67 59.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.837 0.351 . . . . 0.0 110.604 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 46.3 p-10 -64.8 -21.19 66.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.401 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 85.7 mt-30 -65.51 -34.73 78.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.62 -39.12 73.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.23 -37.96 86.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.58 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -59.78 -31.83 70.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.881 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -61.42 -39.51 91.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.756 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 73' ' ' LEU . 4.2 mm? -63.16 -40.85 98.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.985 0.422 . . . . 0.0 110.395 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.567 ' HZ3' ' CB ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -59.46 -49.99 75.64 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.835 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.89 -39.83 79.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.616 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -64.67 -51.37 62.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.772 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.39 -47.64 91.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.422 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.8 p -62.54 -42.24 99.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 m -63.89 -36.29 83.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.548 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.51 -46.73 80.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.682 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.545 179.897 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.793 0.33 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.502 ' CE2' ' NE2' ' A' ' 76' ' ' GLN . 70.0 m-85 -59.0 135.09 57.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -73.6 147.17 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.565 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.7 -45.35 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -55.84 -40.47 72.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.412 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -68.42 -38.39 81.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.58 -35.17 79.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -59.32 -40.69 87.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -58.27 -56.34 23.4 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.818 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -69.95 -37.6 75.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.7 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.17 -8.75 57.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.606 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.8 tttt -63.04 -47.49 82.77 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 15' ' ' LYS . 1.2 m 27.69 -101.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 123.534 0.521 . . . . 0.0 110.677 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.611 ' CZ ' ' NZ ' ' A' ' 19' ' ' LYS . 55.0 p90 -99.84 141.58 32.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.247 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.15 128.86 14.64 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.377 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' NZ ' ' CZ ' ' A' ' 17' ' ' PHE . 12.9 mttm -109.61 149.22 39.58 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.72 139.98 30.56 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.195 1.93 . . . . 0.0 112.269 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 22' ' ' GLY . 34.3 pt -79.39 144.45 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.57 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' ILE . . . 49.95 103.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.25 173.22 14.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.578 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.8 t -72.68 -15.54 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.63 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -68.72 -34.84 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.473 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.37 -23.0 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.489 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.66 -19.59 62.94 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.487 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 18.9 tt -66.31 -24.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.779 0.324 . . . . 0.0 110.449 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -92.6 -30.45 15.62 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.458 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 46.5 t0 -62.22 -34.86 77.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.04 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 28' ' ' ILE . 11.7 pt20 -63.31 -37.0 85.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -61.11 -43.23 99.2 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.735 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.47 -35.14 79.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.088 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ALA . 35.4 tp -64.56 -37.48 87.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.409 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.8 t -58.01 -28.23 33.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.325 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -80.79 -45.05 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.66 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -84.44 -8.05 59.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.005 0.431 . . . . 0.0 110.421 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -70.44 144.86 51.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.566 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -73.22 161.15 30.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.429 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.2 -59.12 3.09 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.7 mtm-85 -64.28 -46.0 85.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.771 0.319 . . . . 0.0 110.956 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.24 -21.17 66.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.783 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' A' ' 39' ' ' LYS . 17.6 tt0 -68.0 -38.19 82.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.454 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.8 -43.3 96.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.003 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.78 -37.14 70.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.527 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -34.96 77.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.282 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.7 m -55.66 -40.11 71.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.685 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -63.31 -41.34 98.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -65.68 -50.83 63.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.409 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.76 -42.32 98.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.802 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.14 -50.28 74.33 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.566 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.73 -45.44 78.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.28 -47.26 85.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.94 -45.19 91.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.445 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.44 HD22 ' HZ3' ' A' ' 74' ' ' LYS . 13.1 m120 -64.31 -43.49 94.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.035 0.445 . . . . 0.0 110.492 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.93 -40.34 94.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.659 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -55.26 -39.88 70.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.487 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.8 -44.68 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.1 77.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.643 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.92 -41.18 78.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.787 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.408 ' O ' ' OD1' ' A' ' 67' ' ' ASN . 46.0 m80 -142.32 68.21 21.26 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.26 -19.44 15.3 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.665 2.244 . . . . 0.0 111.913 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.7 m -76.48 -18.06 58.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.702 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.428 ' C ' ' H ' ' A' ' 66' ' ' ARG . 55.5 m -58.51 -41.68 85.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.696 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.58 -24.25 3.23 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 64' ' ' SER . 6.6 mmp_? -74.85 -15.03 60.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.573 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.658 HD21 ' N ' ' A' ' 67' ' ' ASN . 1.0 OUTLIER -67.76 -19.9 65.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -51.68 -40.31 59.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.582 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.88 -37.16 75.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.895 0.379 . . . . 0.0 110.296 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.96 -40.56 96.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.2 m -57.22 -22.92 44.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.477 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -63.01 -31.84 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.642 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' A' ' 73' ' ' LEU . 10.4 mp -64.01 -38.73 92.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HZ3' HD22 ' A' ' 55' ' ' ASN . 88.6 tttt -54.65 -53.76 50.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -69.4 -27.47 65.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.636 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.502 ' NE2' ' CE2' ' A' ' 5' ' ' PHE . 50.7 tt0 -62.35 -48.42 79.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.08 -47.23 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.0 p -61.76 -44.91 95.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.485 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -64.77 -43.65 92.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.638 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.23 82.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' CD2' ' NE2' ' A' ' 43' ' ' GLN . 61.9 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.627 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 5' ' ' PHE . 92.6 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.727 0.299 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.413 ' N ' ' CG2' ' A' ' 4' ' ' ILE . 39.5 m-85 -69.12 133.0 47.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.49 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 p -83.33 161.92 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.6 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.7 -40.49 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.631 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -54.78 -40.98 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.632 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.45 -42.02 88.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.74 -40.65 92.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.74 -41.89 91.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.28 -49.17 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -72.38 -22.76 61.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.655 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -11.1 60.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.696 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' VAL . 60.8 mttp -63.61 -43.61 96.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LYS . 33.5 m 34.31 -146.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.427 0.455 . . . . 0.0 110.851 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -98.31 148.84 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.622 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.93 -130.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.622 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -150.69 115.63 3.28 Favored Pre-proline 0 N--CA 1.445 -0.723 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.766 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.77 159.86 38.15 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.734 2.289 . . . . 0.0 112.042 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 tt -84.18 131.17 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.686 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . -79.09 -161.91 22.09 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . 76.07 -64.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.831 0.348 . . . . 0.0 110.552 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.1 p -72.91 -40.42 65.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.356 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -79.15 -19.59 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.586 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -66.86 -27.9 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.19 87.94 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.15 -23.44 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.457 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mp -92.03 -45.37 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.283 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -61.46 -31.11 71.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.68 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -62.52 -36.68 83.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.87 -43.1 98.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.311 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.12 -42.47 99.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.144 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.48 -43.38 90.42 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.62 -25.47 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -80.93 -37.36 29.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.326 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -82.74 -22.49 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.339 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.3 158.11 35.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -159.21 142.27 14.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.63 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.66 -130.87 10.95 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -66.93 -19.86 65.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.38 -35.77 81.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.597 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -66.12 -36.73 83.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 ' O ' ' OG ' ' A' ' 47' ' ' SER . 65.8 mt -65.48 -42.9 94.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.71 -39.44 68.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.71 97.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.387 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 44' ' ' ILE . 89.6 p -62.88 -34.65 77.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.741 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.622 ' CE2' ' NZ ' ' A' ' 52' ' ' LYS . 51.0 t80 -61.15 -48.95 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.651 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -70.71 -45.08 65.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.929 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.27 -40.12 92.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.632 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 87.4 m-20 -53.31 -52.0 60.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.584 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.622 ' NZ ' ' CE2' ' A' ' 48' ' ' PHE . 30.8 mtmm -66.07 -45.9 79.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.825 0.345 . . . . 0.0 111.014 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.62 -48.0 82.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -43.84 94.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.38 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.638 ' ND2' ' NZ ' ' A' ' 74' ' ' LYS . 13.7 m120 -62.65 -38.53 90.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.342 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -58.31 -46.59 85.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.401 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.25 -41.41 88.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.639 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.82 -44.51 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.333 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.02 93.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.609 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.92 -39.75 63.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 52.6 m-70 -134.17 65.35 68.73 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.586 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.76 -19.81 30.92 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.709 2.272 . . . . 0.0 111.943 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -22.03 28.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.337 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.451 ' CB ' HH21 ' A' ' 66' ' ' ARG . 23.4 m -63.42 144.57 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.401 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.93 -18.91 53.25 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.674 ' H ' ' HE ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -66.76 -37.3 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.678 -0.307 . . . . 0.0 110.743 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 61' ' ' HIS . 51.5 p30 -64.31 -19.09 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.685 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.485 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 99.2 mm-40 -60.09 -42.66 95.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.48 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.31 -29.96 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.447 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.0 tp -69.26 -39.05 78.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.09 0.472 . . . . 0.0 110.694 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.8 m -64.77 -21.21 66.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.607 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -71.65 -22.8 61.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 73' ' ' LEU . 3.8 mm? -60.81 -48.0 83.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.638 ' NZ ' ' ND2' ' A' ' 55' ' ' ASN . 15.1 ptpt -63.84 -34.69 78.5 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.283 0.364 . . . . 0.0 110.711 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.84 -47.78 79.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.712 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.14 -43.75 90.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.79 -46.28 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.0 p -58.64 -40.4 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -63.33 -41.99 98.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.87 96.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.659 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.741 -179.663 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.413 HG23 HD13 ' A' ' 4' ' ' ILE . 17.7 mm . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.835 0.35 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.53 ' CE2' ' NE2' ' A' ' 76' ' ' GLN . 43.3 m-85 -69.83 134.54 48.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.561 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -78.34 150.03 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.93 -46.94 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.62 -40.34 78.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.115 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.74 -47.42 75.32 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.269 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 14' ' ' ALA . 6.2 tp -70.85 -22.37 62.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.665 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.72 -45.94 85.1 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.604 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.93 -44.96 83.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -72.04 -23.22 61.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.48 -13.15 61.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.697 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 16' ' ' VAL . 69.0 mmtt -62.44 -43.56 98.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.701 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.633 ' CG2' ' H ' ' A' ' 17' ' ' PHE . 12.0 p 45.54 -178.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.988 0.423 . . . . 0.0 110.764 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.633 ' H ' ' CG2' ' A' ' 16' ' ' VAL . 94.6 m-85 -103.47 120.07 40.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . 58.41 119.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.647 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -152.57 114.91 2.84 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.668 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.97 143.05 41.56 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.737 1.625 . . . . 0.0 112.513 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.8 tt -74.88 137.17 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.328 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -159.68 -26.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.3 -6.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.703 0.287 . . . . 0.0 110.64 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.514 ' H ' ' C ' ' A' ' 22' ' ' GLY . 78.0 p -77.5 -17.36 58.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.591 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -77.32 -23.54 50.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -64.98 -32.2 73.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.77 -31.42 78.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.12 -25.44 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.72 0.295 . . . . 0.0 110.621 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -91.16 -32.73 15.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.314 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.84 -38.38 88.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.315 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -64.8 -30.02 71.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.11 -46.08 92.07 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.73 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.15 -43.1 92.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.189 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' ALA . 53.4 tp -63.86 -44.36 93.33 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.532 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.2 t -55.7 -23.46 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.385 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -79.0 -51.24 9.87 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.451 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -90.23 6.89 40.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.603 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -69.54 145.82 52.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.288 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -71.88 149.86 44.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.994 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' LYS . . . -34.23 -69.66 0.18 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.453 ' H ' ' CE ' ' A' ' 39' ' ' LYS . 60.8 ttm-85 -58.19 -42.79 86.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.449 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -64.32 -29.16 70.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 39' ' ' LYS . 59.6 tt0 -67.36 -37.8 83.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' O ' ' OG ' ' A' ' 47' ' ' SER . 95.1 mt -64.12 -44.49 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.84 85.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.938 0.399 . . . . 0.0 110.643 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.8 85.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.601 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.602 ' HG ' ' N ' ' A' ' 48' ' ' PHE . 87.0 p -61.8 -42.57 99.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.832 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.602 ' N ' ' HG ' ' A' ' 47' ' ' SER . 49.5 m-85 -64.18 -36.01 82.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -64.14 -51.62 63.01 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.361 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.48 -37.48 87.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.047 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -50.91 -49.11 60.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -43.13 94.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.385 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -62.59 -49.22 76.11 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.782 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.4 -45.29 79.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.833 0.349 . . . . 0.0 110.441 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -62.44 -44.58 96.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.573 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 65.8 t0 -65.59 -38.18 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.595 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CZ ' ' CE1' ' A' ' 61' ' ' HIS . 56.0 t80 -59.38 -41.84 90.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.376 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.53 -43.53 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.1 92.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.443 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.83 -4.32 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.7 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CE1' ' CZ ' ' A' ' 57' ' ' TYR . 49.9 m80 -125.78 66.58 57.51 Favored Pre-proline 0 N--CA 1.467 0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.429 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.73 -15.57 37.25 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.561 2.174 . . . . 0.0 111.978 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 64' ' ' SER . 53.1 p -86.76 -4.77 59.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.646 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 63' ' ' THR . 11.3 t 58.43 148.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.655 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.37 -101.11 0.17 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -82.83 -10.93 58.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.519 ' OD1' ' NE2' ' A' ' 68' ' ' GLN . 25.8 p-10 -66.61 -20.33 65.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' NE2' ' OD1' ' A' ' 67' ' ' ASN . 15.3 mp0 -64.19 -34.96 79.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.174 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.61 -40.6 69.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.763 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 9.7 mp -64.82 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.511 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 m -57.2 -35.34 69.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.599 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -61.6 -38.2 86.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.783 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.19 -43.73 98.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.77 -44.46 93.86 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.444 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' O ' ' OG ' ' A' ' 79' ' ' SER . 80.7 mm-40 -65.97 -38.85 89.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.859 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.53 ' NE2' ' CE2' ' A' ' 5' ' ' PHE . 86.3 mt-30 -70.39 -49.05 53.05 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.243 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.43 -50.05 81.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.333 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.1 t -62.72 -39.68 94.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 75' ' ' GLU . 38.2 m -61.72 -35.9 79.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.567 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.28 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.645 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.0 mt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.486 179.878 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 88.7 mt . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 120.679 0.276 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -64.99 132.81 50.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 110.39 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -67.01 144.15 56.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.442 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.28 -37.59 80.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.56 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -58.08 -45.51 87.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.603 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.39 -29.04 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -64.02 -37.14 86.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.485 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -59.1 -42.54 90.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -36.09 72.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.83 0.348 . . . . 0.0 110.475 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -73.88 -39.38 63.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.655 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.15 -19.29 62.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.998 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -61.95 -8.43 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 p -75.41 -33.84 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 90.4 t80 -113.69 140.47 48.21 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.428 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.532 ' O ' ' CD2' ' A' ' 17' ' ' PHE . . . -58.67 142.58 49.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -72.1 146.43 89.87 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.57 159.52 53.23 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.527 2.152 . . . . 0.0 112.177 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.12 155.12 7.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.447 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.01 -115.15 4.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.26 49.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.509 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -80.51 -14.82 57.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -73.18 -17.52 61.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.614 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.62 -37.06 80.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.591 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.5 -35.18 90.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.1 mm -69.52 -23.9 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.816 0.341 . . . . 0.0 110.72 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -93.28 -42.4 9.35 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.71 -43.6 98.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.627 HE21 ' NZ ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -63.96 -46.93 82.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 -179.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 32' ' ' LEU . 3.8 mm? -62.33 -40.78 97.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.055 0.455 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.89 -43.93 86.8 Favored 'General case' 0 C--N 1.311 -1.065 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.218 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' ALA . 56.4 tp -69.15 -49.75 54.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.251 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.71 -25.88 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.56 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -78.94 -43.53 24.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.394 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -85.14 -22.35 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.474 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -75.64 163.08 27.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.577 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.94 168.42 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.591 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.66 -145.9 39.4 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -68.49 -22.2 64.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 0.0 110.638 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 67.0 t0 -63.84 -35.07 79.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.384 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.18 -29.74 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.539 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.452 ' O ' ' OG ' ' A' ' 47' ' ' SER . 96.0 mt -64.69 -42.91 96.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.312 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.12 82.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.627 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.04 93.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.492 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 44' ' ' ILE . 83.8 p -62.4 -39.27 92.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.708 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.59 -46.01 91.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.465 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -66.3 -42.87 87.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.385 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.25 -39.87 94.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.613 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.47 -40.84 83.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.289 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -64.1 -44.95 90.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.627 ' NZ ' HE21 ' A' ' 31' ' ' GLN . 85.4 mttt -65.14 -47.87 75.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.633 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.36 -45.69 85.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.432 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -64.45 -45.62 86.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.701 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -63.39 -39.73 95.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.636 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.48 -41.64 81.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.49 -43.99 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.435 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.69 80.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.535 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -71.62 -41.14 69.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -137.13 65.86 52.05 Favored Pre-proline 0 N--CA 1.466 0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.41 -22.88 15.74 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.726 2.284 . . . . 0.0 111.94 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.7 p -76.03 -24.76 55.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.5 t -70.21 139.71 52.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.35 -20.38 64.57 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' NE ' ' H ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -63.79 -34.96 79.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.712 0.292 . . . . 0.0 110.588 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 52.1 p-10 -58.28 -17.18 17.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.47 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.437 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 99.3 mm-40 -64.19 -40.7 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.82 -37.3 70.36 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.999 0.428 . . . . 0.0 110.414 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.65 -38.18 90.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.9 m -62.74 -22.71 66.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.677 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.04 -34.19 75.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.682 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.87 -39.14 93.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.741 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.96 -54.76 42.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.676 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.09 -33.98 76.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.663 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.49 -54.07 42.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.3 t -61.96 -44.9 99.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 m -59.35 -44.08 92.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.695 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.7 t -62.72 -39.15 93.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.03 -38.79 76.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.71 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.658 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.601 ' N ' ' CD1' ' A' ' 4' ' ' ILE . 1.3 mp . . . . . 0 C--O 1.224 -0.279 0 CA-C-O 121.065 0.46 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.539 ' CD2' ' N ' ' A' ' 6' ' ' THR . 28.6 t80 -57.95 167.69 1.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.414 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.539 ' N ' ' CD2' ' A' ' 5' ' ' PHE . 10.1 m -61.33 158.31 14.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.627 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' LYS . 97.2 t -66.36 -22.06 29.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.739 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -54.26 -42.18 69.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -64.21 -48.35 76.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.18 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.9 tp -71.38 -28.46 64.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.929 0.395 . . . . 0.0 110.624 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 7' ' ' VAL . 15.8 ttmm -59.63 -39.48 84.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.619 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.05 -44.76 95.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.58 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -68.3 -33.78 74.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.78 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.61 -8.52 52.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.568 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -51.45 -36.06 42.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 m -78.61 148.22 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.427 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.549 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 53.1 p90 -70.82 120.44 16.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.669 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 175.57 66.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.133 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -96.52 114.71 64.91 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.444 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.22 145.14 45.15 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.562 2.175 . . . . 0.0 112.021 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.0 mm -70.51 151.52 9.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.97 12.78 67.71 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 41.09 42.16 1.53 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.832 0.349 . . . . 0.0 110.782 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.5 m -79.86 -16.56 55.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.563 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -78.01 -20.05 53.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.69 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.15 -41.4 99.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.562 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.75 -20.6 76.14 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.3 mm -70.91 -27.15 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.708 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 mp -92.61 -19.41 21.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.44 -40.1 89.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.393 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -66.71 -35.9 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.712 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 32' ' ' LEU . 9.0 mp -61.89 -43.86 97.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.699 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.62 -31.56 72.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.966 0.412 . . . . 0.0 110.616 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 37' ' ' GLN . 76.4 mt -71.5 -21.97 61.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.6 t -46.73 -23.84 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.553 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -87.46 -34.45 18.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.594 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' LEU . 87.6 mt-30 -82.08 -34.13 29.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.751 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.84 150.27 42.84 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 110.639 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.75 156.1 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.64 -129.14 48.2 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.38 -40.81 92.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.772 0.32 . . . . 0.0 110.51 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.62 -36.01 75.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.463 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.74 -51.26 51.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.715 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.38 -42.77 96.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.206 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.91 -38.63 57.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.601 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.88 -35.57 80.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.382 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.3 t -62.65 -55.88 22.9 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.047 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -63.74 -29.26 70.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.758 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.15 -61.73 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.744 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.87 -31.81 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -42.06 -59.83 1.62 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -66.44 -36.05 81.82 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.139 179.075 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -61.13 -44.64 97.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.72 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.21 -47.5 87.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -65.16 -44.63 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 0.0 110.73 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.99 -40.96 91.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.726 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -58.97 -47.59 84.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.483 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.458 ' CD1' ' OG1' ' A' ' 71' ' ' THR . 97.8 mt -63.38 -42.21 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.347 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.79 -26.95 58.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.45 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -71.16 -41.08 70.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.523 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -139.27 66.67 37.99 Favored Pre-proline 0 N--CA 1.464 0.253 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.532 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.02 -11.63 25.5 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.885 2.39 . . . . 0.0 112.026 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -25.9 64.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.311 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.6 t -76.96 129.04 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.476 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.76 -35.14 79.37 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -63.86 -36.42 83.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.603 0.239 . . . . 0.0 110.639 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -60.72 -27.25 67.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.331 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -68.73 -23.27 64.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.012 0.434 . . . . 0.0 110.493 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.13 -24.15 60.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.756 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.8 mm? -63.06 -41.82 99.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.652 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.458 ' OG1' ' CD1' ' A' ' 58' ' ' ILE . 26.3 m -50.52 -22.07 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.41 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -62.2 -44.01 97.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.738 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' A' ' 73' ' ' LEU . 10.9 mp -62.0 -40.06 94.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.386 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -55.01 -54.91 37.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.767 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 78' ' ' THR . 14.8 pt-20 -67.52 -25.19 65.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.958 0.408 . . . . 0.0 110.68 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -66.61 -32.56 73.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 t -58.53 -45.54 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.818 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 75' ' ' GLU . 24.3 p -53.55 -39.77 65.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.368 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 m -64.94 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.161 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.05 71.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.3 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.704 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 5' ' ' PHE . 96.6 mt . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 120.915 0.388 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.452 ' CD2' ' OE1' ' A' ' 9' ' ' GLU . 18.4 m-85 -96.11 117.0 29.85 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.36 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.1 p -80.13 164.41 23.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.423 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.28 -29.0 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.64 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -57.21 -39.21 74.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.68 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' OE1' ' CD2' ' A' ' 5' ' ' PHE . 97.1 mt-10 -68.19 -40.65 82.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.603 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 4.1 mm? -64.87 -41.95 95.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.19 -43.74 98.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.4 -42.01 93.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -69.92 -35.09 74.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.703 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' C ' ' H ' ' A' ' 16' ' ' VAL . . . -68.05 -10.33 52.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.438 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -51.74 -13.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.501 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.434 ' H ' ' C ' ' A' ' 14' ' ' ALA . 83.4 t -68.29 -42.4 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.392 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -126.69 157.17 39.74 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.453 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.0 122.21 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -48.49 148.3 3.55 Favored Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.937 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.59 146.04 78.16 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.66 2.24 . . . . 0.0 111.951 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.532 ' C ' ' H ' ' A' ' 23' ' ' ALA . 96.0 mt -78.37 154.92 5.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.603 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.07 32.3 0.77 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.532 ' H ' ' C ' ' A' ' 21' ' ' ILE . . . -74.82 -158.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.486 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.0 p -75.09 -18.64 60.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -76.16 -21.64 56.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -64.51 -17.19 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.438 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.57 -18.97 2.8 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mm -66.92 -41.86 88.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.645 0.259 . . . . 0.0 110.58 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.24 -39.16 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.374 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.98 -47.4 80.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.628 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -61.12 -25.53 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.304 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -42.72 98.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.183 0.516 . . . . 0.0 110.164 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -62.87 -35.67 80.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.352 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.1 mp -63.65 -36.99 85.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.3 t -54.19 -24.4 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.583 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -83.76 -51.4 7.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.818 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -84.99 -4.01 58.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.028 0.442 . . . . 0.0 110.598 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -68.94 146.37 52.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.331 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 43' ' ' GLN . 2.7 mptp? -74.55 166.54 23.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.539 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.97 -61.18 4.06 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.63 -40.8 92.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.695 0.283 . . . . 0.0 110.526 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -67.23 -23.34 65.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.776 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 39' ' ' LYS . 57.3 tt0 -67.12 -36.26 81.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.315 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.429 ' O ' ' OG ' ' A' ' 47' ' ' SER . 1.9 mp -66.0 -44.03 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.243 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.96 -41.19 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.401 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.38 96.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 44' ' ' ILE . 78.2 p -63.85 -41.86 97.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.642 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.63 -43.37 93.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.39 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -66.9 -45.78 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.332 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.59 -37.48 86.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.632 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -55.85 -46.23 78.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.394 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.83 -46.6 81.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.045 0.45 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.91 -44.36 96.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.626 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.51 -45.14 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.636 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -63.66 -41.6 98.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.62 -45.43 90.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.41 -45.98 90.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.464 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -45.38 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.414 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.3 -32.8 74.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 45.6 tp10 -69.61 -41.58 75.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.499 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.41 ' ND1' ' O ' ' A' ' 60' ' ' GLU . 61.0 m-70 -142.35 67.63 20.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.696 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.33 -18.02 16.29 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.771 2.314 . . . . 0.0 111.979 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.2 p -85.56 -16.95 37.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.436 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.7 p -54.7 -102.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.744 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.07 -38.13 0.42 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -64.98 -35.69 81.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.733 0.302 . . . . 0.0 110.472 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 70' ' ' LEU . 7.8 m120 -61.6 -30.97 71.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -46.89 -20.26 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.5 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' ASN . . . -84.37 -30.58 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.387 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' ASN . 97.5 mt -66.74 -39.3 87.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.784 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -58.38 -28.71 65.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.637 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -61.45 -38.2 86.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.148 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.69 -40.14 96.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.459 ' O ' ' OG1' ' A' ' 78' ' ' THR . 88.1 tttt -56.83 -51.57 68.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.036 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.05 -36.01 77.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.993 0.425 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -66.75 -59.94 3.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 78' ' ' THR . 9.5 p -57.67 -43.45 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.468 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 23.8 p -61.33 -40.51 94.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.7 m -62.01 -40.14 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.4 83.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 -179.608 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.771 0.32 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.485 ' CD1' ' NH2' ' A' ' 13' ' ' ARG . 78.5 m-85 -70.32 134.49 47.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.391 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 p -80.64 158.15 25.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.461 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.56 -45.53 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.647 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -58.05 -46.3 85.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.783 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.05 -35.74 78.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.97 -38.75 92.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.498 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -57.49 -35.91 70.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -58.43 -56.73 18.39 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.562 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 90.2 mtm180 -70.69 -38.29 73.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.639 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.46 -8.74 57.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.579 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' O ' ' A' ' 16' ' ' VAL . 65.8 tttm -55.15 -47.26 75.38 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.901 -178.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.64 ' CG2' ' H ' ' A' ' 17' ' ' PHE . 11.2 p 43.08 -177.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.048 0.452 . . . . 0.0 110.835 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.64 ' H ' ' CG2' ' A' ' 16' ' ' VAL . 91.1 m-85 -79.07 142.93 36.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.99 137.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -82.17 145.85 53.53 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.875 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.36 143.22 57.35 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 122.348 2.032 . . . . 0.0 111.912 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.619 ' H ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -90.88 144.31 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.356 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.19 143.86 4.62 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.48 7.75 6.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.729 0.299 . . . . 0.0 110.688 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.6 p -75.8 -14.83 60.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -69.06 -34.59 75.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -62.38 -17.12 58.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.777 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.04 -39.08 40.27 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.06 -24.29 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.654 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.3 mt -92.21 -29.22 16.56 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.585 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.1 -36.0 80.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.671 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.67 -32.27 73.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.014 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 4.0 mm? -62.32 -38.69 90.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.24 0.543 . . . . 0.0 109.826 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' OD1' ' OE1' ' A' ' 37' ' ' GLN . 63.8 t0 -63.02 -44.02 97.12 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.067 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.0 mp -69.48 -49.32 55.88 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.852 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 p -59.49 -26.36 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.299 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -80.51 -45.53 17.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.986 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' OE1' ' OD1' ' A' ' 33' ' ' ASP . 87.4 mt-30 -85.71 -14.81 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.662 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -75.51 162.05 28.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.701 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -161.62 140.32 9.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.473 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.29 -124.57 11.21 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 35.6 ptt180 -60.26 -37.32 80.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 111.03 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 91.0 m-20 -64.47 -35.78 82.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.473 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.404 HE22 ' HG ' ' A' ' 47' ' ' SER . 0.6 OUTLIER -66.82 -39.88 87.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.642 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -42.78 96.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.498 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.8 64.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.79 97.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.093 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.404 ' HG ' HE22 ' A' ' 43' ' ' GLN . 64.1 m -62.46 -46.36 88.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.007 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -62.95 -47.24 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -67.45 -46.02 74.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.79 -40.93 89.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -55.25 -53.65 53.37 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.394 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -36.93 80.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 0.0 110.215 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.23 -45.66 92.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.301 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.7 mt -67.28 -44.68 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.396 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -62.2 -41.0 97.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.582 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.6 -41.25 98.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.563 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -59.31 -46.38 88.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.44 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.9 -42.9 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.251 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.8 -34.41 71.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.496 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.55 -39.41 70.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.825 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -134.85 67.65 70.58 Favored Pre-proline 0 N--CA 1.467 0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.14 -12.91 19.28 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.863 2.375 . . . . 0.0 112.051 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -90.83 -9.47 46.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.501 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.438 ' OG ' ' OD1' ' A' ' 67' ' ' ASN . 56.4 p -54.82 -104.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.486 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.95 -45.05 0.62 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.507 ' NH2' ' O ' ' A' ' 13' ' ' ARG . 7.9 tpt180 -67.95 -16.73 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.59 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.605 HD21 ' N ' ' A' ' 67' ' ' ASN . 1.2 m120 -61.93 -24.2 66.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.405 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -48.53 -22.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.15 -25.78 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.429 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' ASN . 90.7 mt -68.86 -41.13 78.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -62.24 -20.71 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.05 -38.71 92.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.668 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.15 -41.13 99.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.25 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -57.13 -49.52 75.66 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.22 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.49 -34.6 77.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.594 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -63.69 -55.04 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.69 -47.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.443 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 m -60.87 -45.38 94.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.738 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.8 t -64.45 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.525 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.7 -48.8 72.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.656 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.7 mt . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.503 179.785 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.811 0.338 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -64.6 135.73 56.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.26 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 m -77.81 143.66 37.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.316 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' LYS . 7.7 p -64.21 -47.42 90.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.975 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -55.94 -31.56 63.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.737 0.303 . . . . 0.0 110.753 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -68.46 -61.36 1.87 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.432 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' ALA . 55.7 tp -68.73 -37.84 79.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 7' ' ' VAL . 63.9 tttp -58.22 -48.82 79.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.802 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.51 -43.77 89.04 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.954 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -70.03 -40.72 75.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.585 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -68.33 -39.46 81.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.22 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 17' ' ' PHE . 34.4 mmtm -63.3 -39.97 96.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.4 t 55.94 -77.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.452 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.568 ' N ' ' O ' ' A' ' 15' ' ' LYS . 80.0 t80 -71.77 170.54 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.56 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.524 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -49.03 140.52 9.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.415 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.496 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -67.02 121.01 76.2 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.955 -178.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.63 151.26 36.58 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.997 1.798 . . . . 0.0 112.214 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -91.68 127.68 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.265 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -166.26 -32.74 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . 76.46 -29.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.467 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.507 ' H ' ' C ' ' A' ' 22' ' ' GLY . 70.5 p -73.52 -25.48 60.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.683 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -75.8 -22.07 56.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.638 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -65.2 -20.38 66.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.81 -22.09 11.26 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.4 tt -68.22 -24.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.557 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -90.68 -28.47 18.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.575 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -59.16 -47.88 83.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.458 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.47 ' NE2' ' CD ' ' A' ' 49' ' ' GLU . 8.2 tp-100 -66.68 -46.56 75.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.8 -43.18 99.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.513 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 54.5 t0 -62.69 -36.79 84.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.346 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.6 tp -62.83 -37.65 87.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.553 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.26 -30.02 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.264 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -78.26 -41.83 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -84.05 -19.8 33.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.613 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -78.81 164.89 24.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -163.09 139.07 6.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.58 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.75 -122.28 13.67 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -61.76 -40.69 96.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.929 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 65.1 t0 -62.93 -37.08 85.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.552 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -66.14 -41.05 90.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 0.0 110.486 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG23 HD12 ' A' ' 44' ' ' ILE . 96.4 mt -65.11 -42.71 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.627 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.62 -41.84 64.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.52 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.94 92.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.951 0.405 . . . . 0.0 110.273 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.0 t -62.16 -44.24 97.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.96 -46.56 87.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CD ' ' NE2' ' A' ' 31' ' ' GLN . 80.7 tt0 -67.42 -40.52 85.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.872 0.367 . . . . 0.0 110.503 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.88 -35.69 79.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.351 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.526 ' C ' HD21 ' A' ' 51' ' ' ASN . 0.3 OUTLIER -57.28 -45.95 83.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.654 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -66.01 -40.32 91.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.124 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.57 -51.01 71.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.999 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 98.0 mt -68.32 -44.56 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.96 0.409 . . . . 0.0 110.303 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -62.19 -44.52 96.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.16 -41.09 97.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -59.49 -41.98 91.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.343 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.53 -43.66 98.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.348 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 -27.42 67.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.492 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -72.04 -40.46 68.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -137.37 65.54 49.53 Favored Pre-proline 0 N--CA 1.468 0.449 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.604 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.86 -15.74 26.4 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.702 2.268 . . . . 0.0 111.842 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.4 t -80.94 -25.07 37.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.8 p -80.79 151.17 28.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.396 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.89 -12.36 52.95 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.5 tpt85 -61.88 -36.31 80.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.348 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.665 HD21 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -60.65 -34.78 74.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.555 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -44.54 -23.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.22 -47.25 44.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 70' ' ' LEU . 10.6 mp -64.53 -38.69 91.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.236 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.3 m -52.43 -42.43 64.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.1 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' O ' ' OE2' ' A' ' 75' ' ' GLU . 94.2 mm-40 -62.68 -31.17 72.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.366 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.94 -39.38 93.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.059 0.456 . . . . 0.0 109.877 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.57 -56.23 23.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.497 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 72' ' ' GLN . 2.9 pp20? -66.51 -24.75 66.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.642 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -63.19 -51.11 67.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.93 -46.38 96.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.832 0.349 . . . . 0.0 110.505 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.7 p -62.03 -33.48 74.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.656 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.4 t -62.62 -43.92 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.505 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.59 85.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.807 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 120.739 0.304 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -69.2 132.18 46.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 m -83.4 160.62 21.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.561 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.07 -43.33 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.621 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -54.95 -41.23 70.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.58 -33.35 73.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.918 0.39 . . . . 0.0 110.76 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.17 -18.11 64.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.871 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -54.97 -39.39 68.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.379 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -64.23 -42.07 96.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.374 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -70.18 -35.73 74.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' A' ' 16' ' ' VAL . . . -69.89 -10.56 58.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.551 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -51.12 -10.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.397 . . . . 0.0 110.325 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 14' ' ' ALA . 80.1 t -79.78 133.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.379 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -90.62 117.78 29.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.458 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 178.35 65.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.775 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.629 ' CA ' ' HZ1' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -78.81 115.98 56.26 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.99 -179.627 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -75.26 163.95 33.8 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.326 2.017 . . . . 0.0 112.408 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.405 HG22 HD11 ' A' ' 21' ' ' ILE . 19.2 mm -60.37 144.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.05 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.38 -129.56 9.57 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.72 48.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.601 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.3 m -79.84 -15.71 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.629 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -70.55 -39.55 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.51 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -63.61 -36.66 84.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.53 ' O ' ' NE2' ' A' ' 31' ' ' GLN . . . -59.61 -28.64 65.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.8 mt -68.52 -24.01 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 110.483 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -90.21 -40.57 12.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.561 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.35 -44.36 97.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -64.59 -34.92 79.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.742 -179.642 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.16 -32.9 71.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.087 0.47 . . . . 0.0 109.868 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -71.98 -48.65 43.42 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.805 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.9 mp -66.01 -42.24 89.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.761 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.522 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 1.3 p -53.01 -25.69 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.929 0.395 . . . . 0.0 110.151 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -80.73 -43.93 19.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.38 -14.19 50.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -76.4 163.19 27.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -165.03 140.47 5.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.765 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.19 -125.49 7.2 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.14 -36.55 82.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.768 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.84 -39.78 95.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 2.7 mm-40 -66.51 -44.07 83.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.426 ' O ' ' OG ' ' A' ' 47' ' ' SER . 97.3 mt -65.38 -43.55 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.464 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' OE1' ' A' ' 49' ' ' GLU . . . -58.75 -41.8 87.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.709 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.88 97.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 44' ' ' ILE . 87.6 p -62.0 -31.28 71.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.686 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.79 -44.58 93.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.645 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 45' ' ' ALA . 5.6 mp0 -66.32 -53.09 40.44 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.705 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 4.0 mm? -61.8 -42.38 98.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.858 0.361 . . . . 0.0 110.709 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.18 -45.8 93.14 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.424 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -67.37 -47.5 70.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.625 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.64 -47.41 83.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.637 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.74 -45.02 85.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.549 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.11 -45.88 89.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.995 0.426 . . . . 0.0 110.643 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -66.31 -38.22 87.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -58.15 -43.39 87.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.387 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.08 -44.62 99.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.447 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.9 92.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -71.11 -40.63 71.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -136.86 68.31 57.93 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.656 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.1 -14.89 20.79 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.642 2.228 . . . . 0.0 111.951 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.1 p -98.77 2.92 47.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.655 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.6 t -61.37 -43.9 98.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' A' ' 68' ' ' GLN . . . 88.62 -29.12 5.93 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -79.42 -18.15 52.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 49.0 p30 -63.24 -16.86 61.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.701 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.51 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 8.7 mp0 -55.63 -23.03 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.054 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.05 -43.43 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.845 0.355 . . . . 0.0 110.42 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.6 mp -64.35 -42.8 96.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -55.18 -28.61 54.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.328 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -64.03 -40.56 96.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.359 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.03 -42.14 97.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.646 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -57.15 -53.71 55.07 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.07 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -67.65 -34.24 76.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.668 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -52.44 64.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.779 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.27 -49.2 85.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.52 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.1 p -62.65 -43.13 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.734 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.1 p -64.91 -37.89 89.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.738 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.34 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.647 179.659 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.46 0.052 0 CA-C-O 120.827 0.346 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -70.06 123.72 22.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.427 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 p -83.29 165.69 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.626 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.0 t -62.11 -47.08 94.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.694 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -56.91 -41.34 77.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -65.02 -49.13 71.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.22 -20.3 63.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -58.34 -44.24 88.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.465 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.03 -46.34 84.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.644 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -70.31 -37.34 74.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.713 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.88 -11.94 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.635 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' VAL . 64.4 tttp -64.32 -45.31 88.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.68 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LYS . 35.0 m 34.1 -143.48 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.417 0.448 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -145.75 156.25 43.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.928 0.394 . . . . 0.0 110.674 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.19 58.6 5.3 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.352 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.67 112.68 65.36 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.432 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.98 142.21 65.49 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.439 2.093 . . . . 0.0 112.017 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.5 pt -84.64 145.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.619 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.47 -128.36 0.94 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.38 -19.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.594 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.8 p -79.75 -15.73 56.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -70.92 -44.61 65.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.638 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -66.66 -29.33 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.33 -33.7 85.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.415 HG22 HD11 ' A' ' 28' ' ' ILE . 97.0 mt -70.13 -23.89 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 4.0 mm? -91.96 -38.51 12.22 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.546 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.19 -26.57 67.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -67.49 -35.09 78.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 32' ' ' LEU . 9.2 mp -61.28 -44.23 97.58 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.426 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.98 -38.63 91.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.985 0.421 . . . . 0.0 110.629 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.45 -18.98 62.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.776 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 32' ' ' LEU . 1.4 p -55.53 -27.54 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.522 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -85.48 -34.2 21.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.215 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -82.0 -25.29 34.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.63 140.03 49.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.47 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HG2' ' H ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -77.66 -179.93 6.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.55 -25.21 34.3 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -83.96 -60.59 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.751 0.31 . . . . 0.0 110.851 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.487 ' H ' ' HG2' ' A' ' 39' ' ' LYS . 38.8 t0 -64.39 -33.25 75.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 58.1 tt0 -61.91 -44.31 97.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.81 -43.66 93.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.465 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.87 -29.12 68.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.67 98.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.343 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.4 t -64.65 -43.47 93.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -61.85 -39.0 90.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.415 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.83 -52.96 57.78 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.724 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.98 -21.57 64.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.018 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -50.3 -57.23 8.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.263 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.421 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -66.41 -40.17 89.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.009 -179.449 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 52' ' ' LYS . 99.7 mttt -62.35 -46.59 88.0 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.3 mt -67.03 -46.04 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -63.68 -40.95 98.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.998 0.428 . . . . 0.0 110.799 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.89 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.389 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -48.93 79.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 62' ' ' PRO . 3.5 mp -65.26 -43.86 95.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.492 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.88 99.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -73.91 -38.26 64.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -134.56 66.97 71.14 Favored Pre-proline 0 N--CA 1.463 0.209 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.719 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ILE . 54.0 Cg_endo -72.73 -22.97 19.87 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.671 2.248 . . . . 0.0 112.014 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.0 m -69.74 -24.14 63.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.452 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -77.83 107.14 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.604 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.45 -33.83 88.28 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -59.61 -35.11 73.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.351 . . . . 0.0 110.6 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 69' ' ' ALA . 1.5 t-20 -60.99 -38.75 87.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.451 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -45.64 -20.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.479 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' ASN . . . -69.73 -33.09 71.99 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.46 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.8 mm? -64.36 -35.62 81.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.574 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.8 m -61.26 -28.41 69.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.759 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -62.19 -31.43 71.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.599 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 mt -61.17 -41.49 96.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 78' ' ' THR . 36.6 ttmt -59.17 -43.69 92.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.344 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.84 -42.58 85.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.586 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -63.81 -54.8 29.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.608 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.48 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.433 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 74' ' ' LYS . 73.5 m -61.19 -46.84 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.5 m -63.5 -37.85 88.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.63 84.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 -179.833 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.5 mm . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.88 0.371 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -61.13 138.27 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.32 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -79.62 158.38 27.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.616 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.05 -42.81 96.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.797 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -45.72 -35.82 4.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.703 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.43 -40.46 85.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 4.0 mm? -66.83 -36.99 83.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.744 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -59.16 -40.54 85.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.541 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.34 -44.87 93.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.418 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -68.99 -35.96 77.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.68 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.2 -8.93 56.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.578 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -54.13 -31.01 51.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.472 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.6 m -78.02 135.93 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.398 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -71.73 141.49 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.07 -73.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 157.87 47.9 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.764 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -50.41 144.5 24.1 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.214 1.943 . . . . 0.0 112.123 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.442 HG21 HD12 ' A' ' 21' ' ' ILE . 18.3 mm -76.05 130.84 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.465 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 24' ' ' SER . . . 82.1 179.45 52.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 61.29 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.494 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 22' ' ' GLY . 37.5 m -75.65 -33.04 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -69.23 -44.97 70.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 110.48 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -70.72 -37.09 73.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.03 -49.46 40.85 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 tp -69.49 -25.07 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.172 0.511 . . . . 0.0 110.671 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tt -89.65 -45.94 8.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.912 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 67.9 t0 -63.46 -37.77 88.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.756 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -59.02 -35.56 73.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.632 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.43 -39.3 90.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.85 0.357 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.15 -40.37 93.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.899 0.38 . . . . 0.0 110.208 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.2 mm? -64.65 -38.13 89.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.756 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.9 t -54.9 -22.6 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -81.46 -46.97 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.796 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -83.13 -21.25 33.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.702 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -74.84 141.38 44.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -142.74 145.17 33.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.143 0.496 . . . . 0.0 110.663 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.37 -126.77 19.77 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -42.71 93.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.194 0.521 . . . . 0.0 110.618 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -56.36 -44.24 79.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.408 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -67.13 -39.56 86.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.374 . . . . 0.0 110.588 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.07 -42.95 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.503 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.47 -42.34 70.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.02 93.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.183 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -63.22 -44.87 94.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.78 -44.23 97.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -65.92 -51.72 56.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.04 -35.1 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.537 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 29.5 t30 -51.87 -42.06 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -63.47 -45.12 92.24 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.791 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' CD ' ' N ' ' A' ' 53' ' ' LYS . 10.9 mptt -64.64 -44.68 89.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.564 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.47 -45.85 88.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.451 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.537 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 62.6 m-20 -63.43 -42.75 98.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.462 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 66.4 t0 -64.86 -38.38 90.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.582 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -56.99 -38.24 72.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.345 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.95 -43.82 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.331 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.38 75.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.87 -14.37 62.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.503 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.524 ' CD2' ' OG1' ' A' ' 63' ' ' THR . 8.5 t-160 -135.63 71.33 65.2 Favored Pre-proline 0 N--CA 1.464 0.226 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.324 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -53.61 -37.05 82.96 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.786 2.324 . . . . 0.0 112.184 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.524 ' OG1' ' CD2' ' A' ' 61' ' ' HIS . 34.0 p -69.68 -15.71 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.481 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m 68.48 -177.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 135.7 -80.79 0.3 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.9 mmt-85 -79.74 -10.76 59.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.799 0.333 . . . . 0.0 110.674 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' ALA . 4.5 m120 -62.56 -38.65 90.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -44.35 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.624 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ASN . . . -82.36 -61.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.646 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.26 -41.61 94.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 84.4 m -59.67 -44.82 93.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.13 -27.53 69.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.711 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.97 -42.38 99.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.019 0.438 . . . . 0.0 110.142 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.41 -47.32 86.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.625 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.05 -34.46 74.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.442 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -64.02 -55.64 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.35 -44.79 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.372 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.1 m -60.21 -42.99 96.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.644 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.5 t -62.03 -39.7 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.429 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.53 -40.59 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.759 179.675 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.47 ' N ' ' CG2' ' A' ' 77' ' ' VAL . 1.5 pp . . . . . 0 C--O 1.222 -0.352 0 CA-C-O 121.19 0.519 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CD2' ' N ' ' A' ' 6' ' ' THR . 59.7 t80 -108.14 171.33 7.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.693 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.568 ' N ' ' CD2' ' A' ' 5' ' ' PHE . 4.5 m -57.37 147.91 24.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 11' ' ' LYS . 7.8 m -61.77 -23.92 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.674 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -52.17 -43.88 64.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.685 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -69.58 -47.08 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 14' ' ' ALA . 4.8 tp -71.27 -21.29 62.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' VAL . 29.3 ttmt -57.72 -45.94 85.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.693 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -66.29 -45.44 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.815 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -76.21 -23.3 54.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -74.55 -10.39 59.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.738 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.7 tttt -62.78 -45.64 91.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.681 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' LYS . 33.1 m 34.37 -148.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 123.353 0.408 . . . . 0.0 110.715 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.68 147.24 26.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.028 0.442 . . . . 0.0 110.614 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.13 -168.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.435 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -90.96 160.73 37.26 Favored Pre-proline 0 N--CA 1.452 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.617 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.61 144.73 91.92 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.497 2.131 . . . . 0.0 112.225 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.92 134.18 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.653 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.17 -132.63 12.98 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.82 13.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -80.04 -15.98 56.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -74.61 -28.57 60.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -64.71 -38.7 91.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.64 -41.04 97.19 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 28' ' ' ILE . 81.5 mt -69.72 -23.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.698 0.285 . . . . 0.0 110.482 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -90.48 -22.44 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 110.49 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.76 -37.08 86.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -63.16 -32.88 74.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.59 -36.39 78.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.201 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -69.83 -48.02 60.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.069 0.461 . . . . 0.0 110.611 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' GLN . 4.0 mm? -64.86 -44.88 88.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.706 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -45.68 -24.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.582 -178.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.72 -35.02 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.946 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' LEU . 58.2 tt0 -83.16 -19.06 37.32 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.202 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.68 140.75 53.62 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.833 0.349 . . . . 0.0 110.474 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -143.26 146.48 33.66 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.27 -127.5 14.59 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -67.74 -19.89 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.718 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -63.78 -38.96 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.523 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -66.48 -40.74 89.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.702 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.07 -42.38 95.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.121 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.31 59.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.327 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -22.76 66.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.265 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 t -65.4 -55.23 19.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.08 -34.07 77.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.94 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -62.95 -63.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.345 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 3.8 mm? -63.54 -31.23 72.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -51.77 -61.09 2.47 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.232 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -67.0 -37.2 83.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.345 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.81 -48.02 80.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.775 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.27 -44.47 94.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.453 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -63.15 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.458 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.87 -41.68 99.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.534 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -61.09 -36.6 80.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.479 ' CD1' ' OG1' ' A' ' 71' ' ' THR . 96.4 mt -62.09 -43.28 97.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.103 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.8 81.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -74.0 -4.1 33.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.634 ' CG ' ' ND2' ' A' ' 67' ' ' ASN . 13.4 m80 -135.0 68.7 70.76 Favored Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -72.9 -12.43 26.17 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.679 2.252 . . . . 0.0 111.902 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.416 ' O ' ' CB ' ' A' ' 64' ' ' SER . 17.5 p -95.27 2.42 54.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.206 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 63' ' ' THR . 0.7 OUTLIER 77.02 151.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.522 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.53 -146.66 10.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -59.64 -32.03 70.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.781 0.324 . . . . 0.0 110.615 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.634 ' ND2' ' CG ' ' A' ' 61' ' ' HIS . 92.7 m-20 -61.98 -39.82 93.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.396 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -53.11 -38.85 62.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.414 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.21 66.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.334 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.97 -40.0 94.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.479 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.479 ' OG1' ' CD1' ' A' ' 58' ' ' ILE . 24.5 m -54.22 -23.06 13.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.433 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -65.5 -38.08 88.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.693 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.54 -23.16 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.712 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.81 -45.79 88.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.029 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.76 -21.92 61.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.265 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -57.84 -60.32 3.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 4' ' ' ILE . 61.1 t -57.85 -41.45 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.743 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.4 m -43.48 -45.68 6.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.336 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.4 t -72.88 -33.9 66.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.909 0.385 . . . . 0.0 110.401 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -59.58 -50.82 72.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 ttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.12 -39.58 98.15 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -157.91 -63.11 0.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.762 0.315 . . . . 0.0 110.694 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.9 mm -92.95 135.7 27.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.52 130.06 44.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 0.0 110.696 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 m -80.51 145.48 31.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.995 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.27 -46.89 95.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -61.51 -40.7 95.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.908 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -66.39 -36.84 83.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.442 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.46 -38.96 92.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.46 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.53 -37.18 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.739 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.98 -55.66 31.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.696 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.569 ' NH2' ' CB ' ' A' ' 69' ' ' ALA . 83.1 mtp180 -70.47 -37.63 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.619 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.56 -9.77 58.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.809 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' PHE . 88.8 tttt -58.85 -45.42 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.55 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.3 t 45.88 -87.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 15' ' ' LYS . 78.2 t80 -134.1 141.49 47.16 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.182 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.05 112.65 0.46 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -134.31 154.27 79.83 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.732 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -53.71 147.3 40.77 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 121.878 1.719 . . . . 0.0 112.381 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.7 mt -79.17 130.22 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.338 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.7 -39.79 66.27 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 76.18 -67.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.667 0.27 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 t -78.14 -20.26 52.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.782 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -75.06 -17.19 60.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.67 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -55.42 -16.34 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.19 -24.38 28.73 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.2 tt -69.5 -23.24 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.0 mt -89.35 -31.09 17.95 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.365 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.02 -26.0 68.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.228 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.88 -38.02 89.53 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.692 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 32' ' ' LEU . 8.0 mp -61.35 -49.62 76.2 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.429 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.69 -38.8 64.75 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' HIS . 38.8 tp -62.42 -40.72 97.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.871 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.458 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 2.5 p -42.73 -19.28 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.156 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 34' ' ' LEU . 80.3 m80 -75.26 -11.57 60.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.675 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -85.06 -36.7 21.04 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.876 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 43' ' ' GLN . . . -76.65 152.54 35.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 36' ' ' HIS . 43.2 mmtm -147.76 157.17 43.41 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 110.196 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.45 -167.9 37.74 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 9.5 ptm180 -66.08 -22.72 66.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.843 0.354 . . . . 0.0 110.702 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.05 -35.45 80.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.906 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 59.7 tt0 -65.47 -55.21 19.17 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.078 0.465 . . . . 0.0 110.552 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 47' ' ' SER . 48.3 mt -71.85 -42.28 69.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.878 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 41' ' ' ARG . . . -50.67 -32.6 19.69 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -60.25 -31.1 69.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 44' ' ' ILE . 60.2 p -55.13 -34.33 63.65 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.709 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -79.77 -18.15 51.73 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.09 -66.42 0.56 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.81 -21.14 64.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.9 0.381 . . . . 0.0 110.971 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -40.37 -58.55 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.203 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -65.56 -42.32 91.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.981 0.419 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -62.98 -31.47 72.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.262 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mt -63.9 -24.84 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -49.8 -19.94 0.76 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.123 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.29 -37.75 88.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.631 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CE2' ' NZ ' ' A' ' 74' ' ' LYS . 37.7 m-85 -55.94 -43.01 77.04 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.56 -43.56 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.562 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.25 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.717 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.99 -41.33 71.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -138.25 65.28 42.24 Favored Pre-proline 0 N--CA 1.467 0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.58 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.85 -19.18 21.16 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.583 2.189 . . . . 0.0 112.109 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.4 p -73.29 -25.8 60.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.688 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.8 t -83.12 138.88 33.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.62 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.21 -14.56 74.16 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -65.16 -35.47 81.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.5 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.449 ' O ' ' OG1' ' A' ' 71' ' ' THR . 9.2 m120 -53.86 -34.78 60.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.195 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.99 -41.24 74.51 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.504 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.569 ' CB ' ' NH2' ' A' ' 13' ' ' ARG . . . -75.17 -48.84 21.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.45 -43.93 97.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.647 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 67' ' ' ASN . 25.0 m -60.87 -53.17 60.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.824 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -69.1 -42.18 76.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.451 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.463 ' C ' ' CD1' ' A' ' 73' ' ' LEU . 3.1 tm? -66.03 -55.84 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.422 -0.511 . . . . 0.0 112.014 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' NZ ' ' CE2' ' A' ' 57' ' ' TYR . 40.4 mtmt -61.14 -38.87 87.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.275 0.56 . . . . 0.0 109.521 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -53.15 -27.51 21.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.743 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -73.31 -68.58 0.48 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.661 ' O ' ' N ' ' A' ' 80' ' ' ALA . 13.8 p -87.67 -55.03 6.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.496 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -46.56 -41.65 14.68 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 121.116 -0.99 . . . . 0.0 108.707 -176.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.629 ' C ' ' H ' ' A' ' 81' ' ' LEU . 16.0 m -69.11 -31.37 70.04 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.016 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.661 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -46.49 -5.81 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.122 0.264 . . . . 0.0 111.39 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.629 ' H ' ' C ' ' A' ' 79' ' ' SER . 85.6 mt -117.51 -17.05 10.11 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 79' ' ' SER . . . 56.07 57.2 20.23 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.601 ' H ' ' CD2' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -74.7 -6.45 48.85 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.152 -179.094 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 83' ' ' LEU . 84.2 tt0 57.3 114.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.698 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -60.38 124.47 20.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.162 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -84.81 142.36 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.592 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -151.93 161.17 43.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.453 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -154.0 161.36 42.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.431 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -76.67 128.96 35.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.324 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.57 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 ptm . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.08 -65.52 0.03 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -67.56 113.42 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.339 . . . . 0.0 111.104 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.424 HD13 ' N ' ' A' ' 4' ' ' ILE . 0.7 OUTLIER -88.23 163.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.745 178.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -58.03 165.3 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.266 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.6 p -74.24 155.76 37.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.13 0.491 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.3 m -67.26 -21.85 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.699 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -49.18 -46.14 45.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.73 -38.34 76.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.9 0.381 . . . . 0.0 110.482 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.24 -41.4 94.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.753 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.67 -40.99 94.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.632 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.07 -50.92 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.747 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -70.91 -37.88 72.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -9.85 58.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.675 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 ttpm? -57.02 -46.11 82.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.652 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t 39.66 -107.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.606 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -149.64 152.75 35.92 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.372 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 41.31 84.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -45.81 111.31 1.36 Allowed Pre-proline 0 N--CA 1.45 -0.473 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.385 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.77 146.28 67.39 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.298 1.999 . . . . 0.0 111.81 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.6 tt -66.1 138.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.547 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.0 161.73 52.32 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.1 -136.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.67 0.272 . . . . 0.0 110.551 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.1 t -80.1 -19.6 47.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.763 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 14.1 p90 -75.81 -17.65 59.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.666 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -58.01 -20.42 38.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.32 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.36 -20.8 7.57 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.8 tt -68.11 -24.87 30.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.776 0.322 . . . . 0.0 110.487 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.7 tp -91.15 -27.89 18.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.544 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.33 -41.53 97.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.709 HE22 ' HZ2' ' A' ' 53' ' ' LYS . 78.3 mt-30 -65.26 -42.31 93.39 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.34 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 mt -59.36 -44.44 92.69 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.755 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -68.71 -47.87 65.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.04 0.447 . . . . 0.0 110.507 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.91 -44.27 85.73 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.259 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.6 t -59.39 -22.85 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.536 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -71.22 -37.21 72.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 1.3 tm0? -88.11 -11.69 46.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.448 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.05 152.6 44.19 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.86 0.362 . . . . 0.0 110.616 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -157.47 141.77 16.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.395 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.22 -149.67 16.66 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -69.4 -27.35 65.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 40.1 p-10 -66.59 -35.6 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.69 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.474 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.6 tt0 -65.93 -39.47 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.49 -43.03 96.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.889 0.376 . . . . 0.0 110.238 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.15 -26.98 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.542 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.54 90.71 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.141 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 t -62.04 -46.14 90.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -63.58 -42.37 98.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.635 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -66.82 -51.58 53.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.492 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.04 -39.06 93.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.46 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.544 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 25.6 t30 -57.4 -50.16 73.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.81 -43.12 97.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.59 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.709 ' HZ2' HE22 ' A' ' 31' ' ' GLN . 37.9 ttmt -63.49 -47.61 81.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.582 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -66.21 -44.58 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.544 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 90.3 m-20 -62.55 -41.57 98.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.592 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.06 -38.9 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.583 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -57.49 -38.14 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.415 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' PRO . 97.3 mt -62.12 -43.42 97.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.304 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.49 79.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.453 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.14 -41.46 63.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -135.02 65.24 64.72 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.559 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' ILE . 55.6 Cg_endo -72.94 -21.09 21.39 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.698 2.265 . . . . 0.0 112.018 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.65 -22.82 34.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.441 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.0 m -67.56 142.46 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.461 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.76 -16.61 65.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -67.29 -35.25 79.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.802 0.334 . . . . 0.0 110.827 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 50.3 p30 -61.28 -18.74 59.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.597 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.458 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 86.3 mt-30 -63.41 -39.31 94.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.401 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.4 -20.9 39.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.321 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.61 -40.89 69.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 t -66.0 -20.56 66.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.69 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.68 -31.3 72.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.621 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.47 -39.4 87.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.738 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.13 -46.33 88.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.429 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 78' ' ' THR . 71.1 mm-40 -71.65 -35.56 70.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.933 0.397 . . . . 0.0 111.117 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.41 -40.12 95.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.045 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -50.07 -42.15 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.122 -178.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.452 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 12.1 p -68.18 -38.07 81.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.108 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.1 m -67.31 -39.24 85.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.606 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.42 -54.41 44.14 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.74 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.7 mt -74.06 -31.98 63.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.92 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.58 54.98 2.26 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 4.3 mm? -65.39 -40.77 93.86 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.947 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 60.51 36.06 20.08 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.093 0.473 . . . . 0.0 110.383 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -63.33 -39.05 93.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -58.04 138.87 55.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -57.98 -44.44 87.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.599 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -149.63 137.39 20.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.462 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -68.56 -57.19 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.518 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 80.4 t60 . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.413 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' H1 ' ' H ' ' A' ' 2' ' ' GLY . 78.4 mtm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.42 ' H ' ' H1 ' ' A' ' 1' ' ' MET . . . -71.15 -87.36 0.13 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 41.79 91.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.704 0.288 . . . . 0.0 110.635 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 5' ' ' PHE . 96.6 mt -136.56 158.71 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.892 0.377 . . . . 0.0 110.408 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' N ' ' CG2' ' A' ' 4' ' ' ILE . 64.2 m-85 -71.86 140.28 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.6 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -76.68 144.94 39.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.73 -42.34 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -51.98 -33.73 39.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.619 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -65.89 -41.54 91.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.652 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.54 -38.15 88.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.84 -42.31 93.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.15 -49.42 69.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -70.7 -34.85 72.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.638 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -10.08 58.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.614 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.5 tttt -65.44 -47.37 76.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LYS . 1.5 m 30.05 -105.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 123.436 0.46 . . . . 0.0 110.693 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.412 ' O ' ' O ' ' A' ' 18' ' ' ALA . 97.1 m-85 -111.61 120.78 43.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.424 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . 52.55 172.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.652 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -88.92 156.95 49.24 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.717 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.95 139.89 32.52 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 122.027 1.818 . . . . 0.0 112.119 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.597 ' H ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -79.48 141.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.677 179.742 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' A' ' 24' ' ' SER . . . 78.23 -20.49 3.97 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 21' ' ' ILE . . . 52.52 6.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.607 0.241 . . . . 0.0 110.732 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 22' ' ' GLY . 19.3 m -82.27 -16.96 47.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.937 0.398 . . . . 0.0 110.606 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -75.04 -17.83 60.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.74 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.57 -15.91 3.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.51 -29.82 48.65 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 tt -69.38 -23.9 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 0.0 110.502 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.7 mt -90.09 -41.78 11.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.332 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.89 -36.31 82.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.765 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -63.65 -31.38 72.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.811 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.4 -40.18 93.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.263 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.8 -35.97 79.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.859 0.361 . . . . 0.0 110.412 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.5 mp -65.34 -31.12 72.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.656 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.7 -42.76 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.515 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -71.77 -38.33 70.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.661 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -81.92 -25.45 34.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.518 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -76.02 158.09 32.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -154.88 147.1 23.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.224 0.535 . . . . 0.0 110.714 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.95 -128.22 28.55 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.11 -34.49 76.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.873 0.368 . . . . 0.0 110.599 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.31 -41.01 98.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.422 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.5 -40.78 89.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 110.644 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.5 -42.8 96.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.333 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.28 -42.68 66.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.96 96.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.127 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.45 ' OG ' ' CG1' ' A' ' 77' ' ' VAL . 70.4 m -62.06 -43.52 98.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.904 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -61.88 -46.56 88.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -69.43 -42.63 74.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.36 -39.39 92.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.454 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.57 -41.85 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.126 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.98 -45.13 90.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -63.65 -44.54 93.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.642 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.0 mt -67.05 -46.92 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.448 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.6 -42.28 95.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.87 -38.35 90.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.548 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -57.02 -42.33 80.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.314 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' PRO . 97.6 mt -62.81 -44.17 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.1 85.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -71.79 -40.64 69.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.767 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -136.9 65.97 54.01 Favored Pre-proline 0 N--CA 1.466 0.354 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.588 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ILE . 56.1 Cg_endo -72.56 -23.49 19.84 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.647 2.231 . . . . 0.0 111.851 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.2 p -78.76 -24.12 44.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.62 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 m -72.06 143.15 49.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.402 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.25 -9.35 73.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -67.35 -36.7 81.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.836 0.35 . . . . 0.0 110.598 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -58.78 -17.27 21.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.425 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -58.65 -46.73 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.643 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.55 -36.58 68.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.987 0.422 . . . . 0.0 110.474 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.18 -38.6 91.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.1 m -62.88 -25.96 68.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.672 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -62.34 -30.54 71.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.917 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.85 -40.94 97.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.285 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' OG1' ' A' ' 78' ' ' THR . 8.2 ttpm? -59.95 -45.29 93.12 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.496 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.75 -44.31 81.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.88 -53.57 48.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.604 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.45 ' CG1' ' OG ' ' A' ' 47' ' ' SER . 78.9 t -61.43 -46.57 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.444 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 74' ' ' LYS . 73.2 m -60.33 -44.56 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.0 p -64.22 -32.49 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.485 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.32 85.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.651 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt -66.16 -29.96 70.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.44 23.94 48.93 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.61 -39.93 92.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.712 0.292 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -110.67 101.48 10.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.229 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.527 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 22.3 t-160 -64.92 -44.24 90.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.398 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 85' ' ' HIS . 25.3 m80 -162.35 42.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.576 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -59.28 -42.97 92.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.635 ' CD2' ' H ' ' A' ' 90' ' ' HIS . 82.5 t60 -56.5 158.96 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.532 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -61.69 -44.21 97.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.643 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.635 ' H ' ' CD2' ' A' ' 88' ' ' HIS . 85.0 t60 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.605 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.8 14.19 78.17 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -56.54 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 0.0 110.624 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.4 mt -90.23 132.52 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.25 134.22 56.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.111 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 7' ' ' VAL . 27.2 m -100.99 168.33 9.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.404 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.4 ' N ' ' CG2' ' A' ' 6' ' ' THR . 73.7 t -60.71 -45.36 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.564 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.665 HE22 ' NZ ' ' A' ' 11' ' ' LYS . 99.5 mm-40 -53.14 -39.49 63.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 110.64 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -70.28 -33.57 71.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.808 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.0 -19.98 61.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.205 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.665 ' NZ ' HE22 ' A' ' 8' ' ' GLN . 98.0 mttt -58.18 -39.02 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.552 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.19 -41.0 99.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -70.3 -39.05 75.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . -75.85 -9.58 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.671 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.18 -41.71 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -75.99 -22.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.713 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 14' ' ' ALA . 64.9 m-85 -98.11 146.36 25.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.363 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.24 72.71 1.01 Allowed 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.078 0.466 . . . . 0.0 110.511 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' H ' ' CD ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -91.25 166.26 19.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.282 -179.308 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.87 147.79 79.41 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.363 2.042 . . . . 0.0 112.16 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.2 mm -75.02 132.7 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.367 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.8 95.57 0.95 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.33 -167.78 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 m -77.06 -22.06 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.539 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -70.68 -37.9 73.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.508 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -64.01 -29.97 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.411 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.96 -34.3 88.42 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.86 -25.28 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.675 0.274 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.9 tp -91.87 -42.18 10.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.826 0.346 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -60.18 -49.23 78.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.619 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.25 -25.66 67.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.232 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.44 -41.83 94.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -61.72 -37.0 82.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.0 mp -64.4 -37.73 88.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.695 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.8 t -54.2 -26.14 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.599 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -81.95 -46.44 14.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.2 -3.87 58.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.578 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -72.49 142.11 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.705 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -75.64 176.25 7.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.618 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.05 -44.31 73.1 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -74.83 -46.78 34.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.954 0.407 . . . . 0.0 110.785 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -66.24 -31.27 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.962 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.65 -37.25 86.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.468 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.6 mt -64.5 -43.91 96.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.375 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.78 -40.99 85.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.93 89.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.187 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 m -60.8 -41.94 96.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -61.72 -44.79 96.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.655 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -65.78 -49.15 69.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.963 0.411 . . . . 0.0 110.408 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.03 -34.45 78.03 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.726 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -56.55 -52.78 63.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.124 -178.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 53' ' ' LYS . 16.9 ptpt -67.06 -41.16 86.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.364 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 96.3 mttt -63.24 -45.31 92.15 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.758 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.02 -47.41 85.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.621 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -65.19 -43.55 91.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.019 0.438 . . . . 0.0 110.91 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.86 -44.9 91.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.908 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -59.99 -49.84 76.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.433 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.65 -44.62 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.466 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.75 -25.02 67.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.518 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -68.65 -41.9 78.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.573 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -144.99 71.63 14.82 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.645 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -56.1 -34.6 93.26 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.815 2.344 . . . . 0.0 111.925 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.4 m -73.19 0.85 10.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.697 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.9 m -56.88 -40.45 76.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.17 -50.59 3.99 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -64.22 -38.91 92.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.853 0.359 . . . . 0.0 110.427 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 70' ' ' LEU . 6.0 m120 -63.98 -19.18 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.205 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -46.53 -32.54 3.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.497 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.31 -20.68 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.962 0.411 . . . . 0.0 110.58 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' ASN . 5.3 tp -63.16 -40.09 96.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.672 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -56.85 -19.08 15.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.278 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -58.59 -39.36 80.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.348 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.1 mt -62.28 -40.63 96.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 51' ' ' ASN . 54.3 tttp -59.88 -47.6 85.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.648 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.6 -44.74 81.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.72 -53.4 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.6 t -61.2 -46.37 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.459 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.9 m -60.82 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.608 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.8 p -64.25 -33.52 76.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.531 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.75 89.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.7 mt -66.33 -30.27 70.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.47 12.97 64.1 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.84 -40.56 88.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.579 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 56.01 -96.85 0.07 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.527 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -82.45 126.26 32.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -165.57 105.68 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -144.46 136.17 25.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.562 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.427 ' O ' ' CG ' ' A' ' 88' ' ' HIS . 86.2 t60 -171.23 60.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.515 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -65.36 -44.71 86.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.521 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 4' ' ' ILE . . . 167.89 -156.13 27.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.49 9.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.384 . . . . 0.0 110.471 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.448 ' H ' ' C ' ' A' ' 2' ' ' GLY . 89.1 mt -91.39 130.87 39.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.497 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' CD1' ' NE2' ' A' ' 76' ' ' GLN . 5.2 m-85 -72.9 142.45 47.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.556 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -71.39 146.35 48.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.58 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.6 p -62.64 -36.89 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.657 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -59.45 -41.76 90.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.06 -46.24 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.617 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.13 -36.81 82.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -58.26 -43.6 87.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.76 -42.15 95.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.635 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.13 -39.23 75.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.661 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.96 -10.43 59.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' PHE . 45.1 tptt -60.79 -43.46 98.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.6 t 46.5 -89.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.617 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 89.1 t80 -151.22 166.14 31.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.579 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.555 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . 52.46 173.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 114.26 13.5 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.06 140.99 23.22 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.537 2.158 . . . . 0.0 112.121 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -91.89 127.8 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.465 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . 41.18 -116.61 0.92 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . 81.28 155.76 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.823 0.344 . . . . 0.0 110.447 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.7 p -81.05 -12.89 59.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -67.34 -19.47 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.686 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.62 -22.9 66.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.74 -26.3 60.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mm -69.32 -42.08 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.773 0.32 . . . . 0.0 110.804 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.4 tp -89.76 -36.25 15.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.729 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -60.84 -35.48 76.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.226 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.471 HE21 ' CB ' ' A' ' 46' ' ' ALA . 56.1 tp60 -64.22 -38.41 90.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.473 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 mt -60.28 -42.77 96.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.785 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 64.6 t0 -62.54 -38.49 90.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.287 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 38' ' ' ALA . 89.4 mt -63.57 -38.96 93.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -42.64 90.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -73.44 -36.17 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -83.84 -24.86 30.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.639 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -77.11 155.07 32.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -156.93 140.71 16.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.45 0.643 . . . . 0.0 110.312 -179.349 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.74 -138.27 14.74 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -63.79 -39.58 94.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 110.67 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 46.2 p-10 -61.12 -24.47 66.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -178.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 59.2 tt0 -67.57 -38.78 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.495 ' N ' ' CD1' ' A' ' 44' ' ' ILE . 1.9 mp -64.55 -43.58 96.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.65 -54.25 46.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.471 ' CB ' HE21 ' A' ' 31' ' ' GLN . . . -63.32 -42.68 99.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.624 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -63.13 -50.21 71.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.919 0.39 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -64.35 -46.45 83.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.765 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -66.56 -37.17 84.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.472 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.11 -39.41 86.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.616 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.655 HD22 ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -57.8 -42.26 83.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.231 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -64.44 -40.35 95.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.779 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.49 -44.62 95.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.778 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -45.18 93.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.541 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.655 ' ND2' HD22 ' A' ' 51' ' ' ASN . 89.4 m-20 -63.32 -45.36 91.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -65.32 -41.71 93.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.788 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -58.32 -43.92 88.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.374 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.25 -44.52 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.18 93.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.503 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -70.27 -41.51 73.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.791 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -138.02 70.1 49.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.74 -15.6 21.34 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.659 2.239 . . . . 0.0 112.086 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.6 p -98.35 1.85 47.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.387 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.4 p -62.32 -34.81 77.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.684 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.85 -39.39 2.72 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -70.41 -19.34 63.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.705 0.288 . . . . 0.0 110.57 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 51.2 p-10 -67.02 -17.66 65.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.607 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.466 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 65.1 tt0 -56.69 -34.5 67.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.07 70.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.3 mp -63.72 -40.92 97.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.896 0.379 . . . . 0.0 110.536 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.8 m -51.22 -36.73 43.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -62.13 -40.04 94.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 73' ' ' LEU . 4.0 mm? -61.92 -40.99 97.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.737 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' CD ' ' OD1' ' A' ' 55' ' ' ASN . 25.7 ttpp -57.58 -47.35 82.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.572 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 78' ' ' THR . 98.5 mt-10 -66.64 -38.14 86.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.64 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.432 ' NE2' ' CD1' ' A' ' 5' ' ' PHE . 81.8 mt-30 -64.64 -45.77 85.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 81' ' ' LEU . 72.4 t -60.4 -46.92 94.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.542 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 75' ' ' GLU . 33.7 p -52.11 -39.79 60.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.58 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 t -68.57 -59.42 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.09 -28.42 69.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 77' ' ' VAL . 44.4 tp -65.48 -31.95 73.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.556 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.42 54.7 8.45 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.511 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.66 -25.0 63.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.75 -25.95 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.391 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.4 m170 -55.48 -77.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.5 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -143.72 104.4 4.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 0.0 110.487 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.444 ' O ' ' ND1' ' A' ' 87' ' ' HIS . 53.3 t-80 -151.73 15.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.53 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -90.83 76.1 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.383 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -66.06 -42.24 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.553 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.407 ' O ' ' ND1' ' A' ' 90' ' ' HIS . 29.4 p80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.509 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.0 mmm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.14 18.14 77.03 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -144.79 148.1 33.67 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.923 0.392 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.9 mt -88.31 134.07 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.643 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.0 132.96 52.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.303 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 m -79.09 159.57 27.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.7 m -63.71 -37.78 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.663 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -52.51 -47.09 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.828 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.37 -36.65 77.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.653 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 14' ' ' ALA . 4.8 tp -64.17 -36.23 83.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.66 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.25 -41.74 80.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.735 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.61 -47.05 80.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.663 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -74.58 -23.81 58.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.25 -9.94 59.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.736 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 17' ' ' PHE . 10.2 mtpm? -58.52 -45.41 88.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.7 t 39.24 -90.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.898 0.38 . . . . 0.0 110.95 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' LYS . 90.8 t80 -150.79 163.79 37.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.501 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -63.09 115.45 4.47 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -136.29 149.2 67.16 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.046 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -46.85 142.29 10.78 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.087 1.858 . . . . 0.0 112.247 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 pt -88.8 146.26 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.573 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.99 164.11 34.1 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.29 -25.37 63.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.911 0.386 . . . . 0.0 110.643 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 m -80.24 -18.03 50.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -70.59 -46.75 62.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -69.01 -16.86 63.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.632 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' C ' ' NZ ' ' A' ' 53' ' ' LYS . . . -52.19 -30.36 31.52 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.438 ' N ' ' HZ1' ' A' ' 53' ' ' LYS . 19.6 tt -69.36 -27.39 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.923 0.392 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -91.35 -39.74 11.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.658 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 64.2 t0 -60.23 -39.14 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.52 HE21 ' CB ' ' A' ' 46' ' ' ALA . 69.7 tp60 -65.19 -36.65 84.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.277 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -51.43 69.6 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.439 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -63.38 -35.83 81.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.378 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.9 tp -62.45 -40.9 98.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.742 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.9 t -55.34 -22.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.292 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -84.16 -46.02 12.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -85.78 -10.81 54.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.974 0.416 . . . . 0.0 110.568 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -72.2 140.39 48.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' GLN . 31.7 mmtm -81.12 175.15 10.9 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.73 -25.76 9.71 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -86.75 -59.05 2.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.812 0.339 . . . . 0.0 110.664 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -65.64 -28.38 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 39' ' ' LYS . 56.1 tt0 -64.16 -41.11 97.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.284 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.447 ' O ' ' OG ' ' A' ' 47' ' ' SER . 87.3 mt -65.01 -43.31 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.408 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.06 -35.19 70.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.52 ' CB ' HE21 ' A' ' 31' ' ' GLN . . . -62.49 -36.31 82.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.342 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 44' ' ' ILE . 64.4 p -62.19 -45.16 94.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -63.34 -45.94 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -67.39 -48.57 66.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.455 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.69 -40.45 97.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 51' ' ' ASN . 0.8 OUTLIER -59.0 -48.44 81.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.595 -179.37 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -64.04 -39.76 94.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.359 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.474 ' NZ ' ' C ' ' A' ' 27' ' ' GLY . 37.7 ttmt -62.43 -45.99 90.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.554 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.414 HD11 HG22 ' A' ' 54' ' ' ILE . 92.5 mt -65.92 -44.64 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -63.27 -41.14 98.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.86 -39.35 94.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.66 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.78 -43.47 90.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.95 -44.78 99.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.374 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.44 83.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -71.67 -40.57 69.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.619 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -137.5 66.57 50.96 Favored Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.716 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.32 -15.33 22.62 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.762 2.308 . . . . 0.0 111.912 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.1 p -91.99 -15.28 28.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 t -61.08 -44.9 96.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.37 -19.51 8.44 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -72.11 -20.44 61.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.845 0.355 . . . . 0.0 110.59 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' LEU . 88.8 m-20 -65.93 -23.69 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.302 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -44.73 -30.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.617 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.76 -36.81 70.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.285 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' ASN . 58.1 mt -67.18 -37.35 83.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.948 0.404 . . . . 0.0 110.613 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -58.47 -29.98 66.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.71 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.11 -37.66 85.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.74 -40.57 97.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.333 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -56.61 -49.65 74.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.516 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.93 -35.42 78.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.684 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -63.55 -53.38 52.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.655 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.16 -44.05 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.381 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 79.4 m -58.63 -44.72 90.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.1 p -64.96 -34.81 79.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.45 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.24 -27.63 68.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.48 12.21 61.46 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.85 -40.14 83.72 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.595 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 58.4 107.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.316 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -74.59 144.84 43.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.456 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.98 -46.67 88.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.604 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.506 ' CD2' ' ND1' ' A' ' 89' ' ' HIS . 26.5 t60 -166.47 -78.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.519 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 87' ' ' HIS . 77.9 m80 55.41 112.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.658 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.506 ' ND1' ' CD2' ' A' ' 87' ' ' HIS . 46.3 p-80 -152.22 152.93 32.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.434 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.633 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.15 -141.4 47.8 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.425 ' O ' ' OE1' ' A' ' 76' ' ' GLN . 49.3 tt0 -157.58 87.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.642 0.258 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 5' ' ' PHE . 96.4 mt -136.25 157.17 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.403 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.525 ' CZ ' ' OE1' ' A' ' 72' ' ' GLN . 59.9 m-85 -68.59 135.11 50.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.451 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -73.44 149.5 42.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.554 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -60.56 -41.16 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.714 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -55.18 -41.64 72.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.728 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.23 -35.39 68.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.793 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 92.1 mt -67.39 -29.42 68.93 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.01 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -52.28 -39.63 60.71 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.933 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.14 -58.12 6.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.831 0.348 . . . . 0.0 111.262 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 88.6 mtm180 -70.05 -36.97 75.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . -69.01 -10.02 55.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.492 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.584 ' NZ ' ' CD1' ' A' ' 17' ' ' PHE . 14.8 tmtt? -58.94 -47.05 86.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.721 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.548 ' O ' ' O ' ' A' ' 15' ' ' LYS . 41.9 t 49.81 118.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.32 0.581 . . . . 0.0 111.07 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.584 ' CD1' ' NZ ' ' A' ' 15' ' ' LYS . 87.6 m-85 -67.81 136.73 54.61 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.79 41.82 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.121 0.486 . . . . 0.0 110.535 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.93 159.22 0.27 Allowed Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.913 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.32 151.23 53.73 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.425 2.083 . . . . 0.0 112.083 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.6 pt -66.55 152.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.724 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.55 18.44 60.23 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 41.76 77.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.834 0.35 . . . . 0.0 110.776 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -82.12 -15.61 52.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -73.75 -18.62 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.555 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -61.85 -43.99 97.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.579 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.3 -31.25 78.47 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.5 mm -70.05 -23.35 25.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-O 120.798 0.332 . . . . 0.0 110.538 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tt -92.66 -42.55 9.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.776 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -58.67 -45.55 89.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.647 HE21 ' HZ1' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -64.21 -40.81 96.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.154 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 32' ' ' LEU . 3.5 mm? -61.64 -42.57 99.09 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.389 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -65.35 -34.22 77.8 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.043 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 50.9 tp -64.9 -41.92 95.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.014 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.98 -27.15 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.352 -178.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -79.5 -40.18 30.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.241 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -84.42 -21.98 30.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.617 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -77.4 159.91 29.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -160.88 139.64 10.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.65 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.61 -125.07 9.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 9.6 mpt_? -63.79 -36.44 83.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.803 0.335 . . . . 0.0 110.632 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -62.53 -38.35 89.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.625 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.27 -39.8 89.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.623 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.35 -42.35 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.383 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.31 -40.53 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.99 92.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.533 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.1 t -62.07 -42.77 99.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.27 -46.0 92.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.612 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -67.22 -45.95 75.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.452 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 mt -62.58 -40.74 97.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.723 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -57.6 -43.68 84.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.135 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -64.2 -44.03 93.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.495 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.647 ' HZ1' HE21 ' A' ' 31' ' ' GLN . 53.0 mtmt -64.17 -47.75 78.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.699 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.27 -44.95 87.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.403 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -65.02 -43.99 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.08 -38.94 92.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.602 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.32 -40.37 74.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.355 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 58' ' ' ILE . 97.5 mt -62.92 -44.3 99.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.429 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.52 84.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.95 -41.83 64.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.896 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -135.0 66.22 67.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.523 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.56 -25.14 21.36 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.671 2.247 . . . . 0.0 111.926 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 79.5 p -77.17 -24.27 51.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.432 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.8 t -67.65 141.21 56.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.547 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.88 -17.88 60.69 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 13' ' ' ARG . 47.0 mmm-85 -65.58 -23.95 66.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.59 0.233 . . . . 0.0 110.659 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 57.7 p30 -63.68 -16.78 61.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.49 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 53.1 mt-30 -63.75 -39.58 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.12 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -64.2 -40.78 96.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.866 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -63.08 -24.28 67.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.623 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.525 ' OE1' ' CZ ' ' A' ' 5' ' ' PHE . 56.7 tt0 -66.15 -36.31 82.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.3 -40.22 95.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.523 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -58.42 -43.9 88.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.55 -40.47 84.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 3' ' ' GLN . 95.3 mm-40 -64.13 -54.74 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.45 -46.0 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.459 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.6 m -61.0 -44.36 97.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.6 t -63.43 -40.98 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.08 -50.46 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.593 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.8 mt -66.89 -30.58 70.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 14.13 74.39 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 85' ' ' HIS . 88.3 mt -65.33 -41.08 94.33 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.598 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 55.26 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.505 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 83' ' ' LEU . 15.7 p80 -78.54 148.85 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.422 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.471 ' CG ' ' N ' ' A' ' 87' ' ' HIS . 80.7 t60 -153.1 164.92 37.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.471 ' N ' ' CG ' ' A' ' 86' ' ' HIS . 72.3 m80 -79.37 157.96 27.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 89' ' ' HIS . 59.3 t-80 -71.49 129.12 37.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.43 ' O ' ' CE1' ' A' ' 88' ' ' HIS . 37.3 p-80 -72.9 138.0 45.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.623 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.5 m80 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.574 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.2 mmm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.03 -103.71 0.2 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.441 ' O ' ' OE1' ' A' ' 76' ' ' GLN . 89.0 mt-30 -62.86 -33.35 75.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.2 mt -86.85 131.46 34.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -67.62 135.86 53.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.41 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 p -79.36 163.75 24.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.476 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -61.72 -46.75 95.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.777 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.48 -49.02 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.329 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.87 -35.62 77.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.017 0.437 . . . . 0.0 110.254 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.27 -35.54 81.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.731 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.75 -41.65 91.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.851 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -61.88 -52.67 63.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -70.03 -38.66 75.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.691 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.22 -9.67 58.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.663 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' O ' ' O ' ' A' ' 16' ' ' VAL . 38.3 ttpt -57.04 -46.36 82.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.647 ' CG2' ' H ' ' A' ' 17' ' ' PHE . 11.8 p 42.98 -177.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 123.706 0.629 . . . . 0.0 111.256 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.647 ' H ' ' CG2' ' A' ' 16' ' ' VAL . 86.7 t80 -70.05 131.96 45.14 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 70.45 166.55 0.29 Allowed 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.619 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -98.91 114.07 65.13 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.476 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -53.42 146.91 39.55 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.432 2.088 . . . . 0.0 112.497 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -50.67 136.95 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.49 -177.99 42.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 75.11 -67.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.009 0.433 . . . . 0.0 110.496 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -73.99 -38.53 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.573 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -74.78 -22.55 58.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -66.17 -31.87 72.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.746 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.56 -18.07 79.37 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 28' ' ' ILE . 31.7 mm -65.56 -42.52 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 C-N-CA 121.331 -0.148 . . . . 0.0 110.962 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -26.72 18.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.889 0.376 . . . . 0.0 110.823 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.39 -35.21 75.22 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.404 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.522 HE21 ' CB ' ' A' ' 46' ' ' ALA . 64.9 tp60 -66.12 -34.92 79.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.608 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 4.1 mm? -62.14 -46.68 87.92 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 68.2 t0 -67.98 -35.33 78.17 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.259 0.552 . . . . 0.0 110.475 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' ALA . 39.0 tp -63.39 -39.44 94.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.265 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -28.13 13.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.481 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -79.38 -44.21 21.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.619 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -84.99 -8.55 58.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.153 0.502 . . . . 0.0 110.199 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -68.52 142.07 55.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.505 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 43' ' ' GLN . 14.4 tmtt? -72.73 158.48 35.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.83 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . . . -33.87 -74.47 0.07 OUTLIER Glycine 0 CA--C 1.532 1.141 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.34 -42.47 91.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.537 -0.39 . . . . 0.0 110.564 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.63 -24.0 67.36 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.673 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.595 ' N ' ' O ' ' A' ' 39' ' ' LYS . 50.8 tt0 -69.14 -32.28 71.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.435 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.03 -43.05 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.333 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.75 77.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.709 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.522 ' CB ' HE21 ' A' ' 31' ' ' GLN . . . -62.07 -43.77 98.12 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.6 m -62.17 -46.86 87.06 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.97 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -63.91 -47.27 81.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.622 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -68.15 -41.08 82.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.47 -36.25 79.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.302 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -57.87 -40.65 80.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.223 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -43.3 95.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.7 -47.28 84.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.443 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.3 -44.35 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.431 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.12 -41.78 98.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.631 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.52 -40.04 95.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.532 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CZ ' ' NE2' ' A' ' 61' ' ' HIS . 46.8 t80 -59.06 -40.72 86.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.327 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.47 -43.13 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.302 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.93 86.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.344 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -76.6 -1.71 28.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.517 ' NE2' ' CZ ' ' A' ' 57' ' ' TYR . 32.2 m80 -127.45 63.08 57.54 Favored Pre-proline 0 N--CA 1.466 0.37 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.455 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.7 -20.99 52.3 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.667 2.245 . . . . 0.0 111.836 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -14.77 58.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.404 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m 69.21 149.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.2 -107.21 0.26 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.435 ' NH1' ' H ' ' A' ' 16' ' ' VAL . 24.8 mmt85 -78.76 -10.67 59.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.837 0.351 . . . . 0.0 110.604 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 46.3 p-10 -64.8 -21.19 66.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.401 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 85.7 mt-30 -65.51 -34.73 78.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.62 -39.12 73.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.23 -37.96 86.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.58 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -59.78 -31.83 70.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.881 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -61.42 -39.51 91.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.756 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 73' ' ' LEU . 4.2 mm? -63.16 -40.85 98.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.985 0.422 . . . . 0.0 110.395 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.567 ' HZ3' ' CB ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -59.46 -49.99 75.64 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.835 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.89 -39.83 79.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.616 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 3' ' ' GLN . 17.7 tt0 -64.67 -51.37 62.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.772 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.39 -47.64 91.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.422 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.8 p -62.54 -42.24 99.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 m -63.89 -36.29 83.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.548 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.51 -46.73 80.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.682 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.7 -29.87 69.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.545 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.0 17.93 64.2 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 84' ' ' GLU . 84.7 mt -65.42 -41.58 93.41 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.575 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 83' ' ' LEU . 44.6 tp10 58.92 146.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.384 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' GLU . 65.4 t-80 59.14 146.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.638 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.432 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 47.2 t-80 -58.87 -86.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.674 ' CG ' ' H ' ' A' ' 88' ' ' HIS . 6.5 t-160 43.47 -148.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.674 ' H ' ' CG ' ' A' ' 87' ' ' HIS . 75.7 m80 42.7 49.82 4.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.652 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -59.48 -45.12 92.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.419 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.0 t60 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.542 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ptp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.31 78.69 0.19 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -78.56 -9.8 59.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.4 mt -89.56 138.45 19.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.502 ' CE2' ' NE2' ' A' ' 76' ' ' GLN . 70.0 m-85 -59.0 135.09 57.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -73.6 147.17 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.565 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.7 -45.35 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -55.84 -40.47 72.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.412 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -68.42 -38.39 81.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.58 -35.17 79.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -59.32 -40.69 87.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -58.27 -56.34 23.4 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.818 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -69.95 -37.6 75.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.7 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.17 -8.75 57.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.606 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.8 tttt -63.04 -47.49 82.77 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 15' ' ' LYS . 1.2 m 27.69 -101.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 123.534 0.521 . . . . 0.0 110.677 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.611 ' CZ ' ' NZ ' ' A' ' 19' ' ' LYS . 55.0 p90 -99.84 141.58 32.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.247 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.15 128.86 14.64 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.377 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' NZ ' ' CZ ' ' A' ' 17' ' ' PHE . 12.9 mttm -109.61 149.22 39.58 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.72 139.98 30.56 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.195 1.93 . . . . 0.0 112.269 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 22' ' ' GLY . 34.3 pt -79.39 144.45 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.57 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' ILE . . . 49.95 103.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.25 173.22 14.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.578 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.8 t -72.68 -15.54 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.63 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -68.72 -34.84 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.473 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.37 -23.0 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.489 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.66 -19.59 62.94 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 18.9 tt -66.31 -24.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.779 0.324 . . . . 0.0 110.449 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -92.6 -30.45 15.62 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.458 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 46.5 t0 -62.22 -34.86 77.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.04 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 28' ' ' ILE . 11.7 pt20 -63.31 -37.0 85.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -61.11 -43.23 99.2 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.735 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.47 -35.14 79.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.088 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ALA . 35.4 tp -64.56 -37.48 87.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.409 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.8 t -58.01 -28.23 33.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.325 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -80.79 -45.05 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.66 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -84.44 -8.05 59.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.005 0.431 . . . . 0.0 110.421 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -70.44 144.86 51.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.566 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -73.22 161.15 30.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.429 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.2 -59.12 3.09 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.7 mtm-85 -64.28 -46.0 85.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.771 0.319 . . . . 0.0 110.956 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.24 -21.17 66.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.783 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' A' ' 39' ' ' LYS . 17.6 tt0 -68.0 -38.19 82.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.454 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.8 -43.3 96.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.003 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.78 -37.14 70.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.527 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -34.96 77.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.282 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.7 m -55.66 -40.11 71.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.685 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -63.31 -41.34 98.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -65.68 -50.83 63.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.409 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.76 -42.32 98.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.802 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.14 -50.28 74.33 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.566 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.73 -45.44 78.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.28 -47.26 85.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.94 -45.19 91.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.445 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.44 HD22 ' HZ3' ' A' ' 74' ' ' LYS . 13.1 m120 -64.31 -43.49 94.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.035 0.445 . . . . 0.0 110.492 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.93 -40.34 94.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.659 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -55.26 -39.88 70.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.487 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.8 -44.68 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.1 77.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.643 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.92 -41.18 78.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.787 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.408 ' O ' ' OD1' ' A' ' 67' ' ' ASN . 46.0 m80 -142.32 68.21 21.26 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.26 -19.44 15.3 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.665 2.244 . . . . 0.0 111.913 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.7 m -76.48 -18.06 58.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.702 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.428 ' C ' ' H ' ' A' ' 66' ' ' ARG . 55.5 m -58.51 -41.68 85.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.696 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.58 -24.25 3.23 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 64' ' ' SER . 6.6 mmp_? -74.85 -15.03 60.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.573 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.658 HD21 ' N ' ' A' ' 67' ' ' ASN . 1.0 OUTLIER -67.76 -19.9 65.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -51.68 -40.31 59.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.582 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.88 -37.16 75.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.895 0.379 . . . . 0.0 110.296 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.96 -40.56 96.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.2 m -57.22 -22.92 44.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.477 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -63.01 -31.84 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.642 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' A' ' 73' ' ' LEU . 10.4 mp -64.01 -38.73 92.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HZ3' HD22 ' A' ' 55' ' ' ASN . 88.6 tttt -54.65 -53.76 50.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -69.4 -27.47 65.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.636 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.502 ' NE2' ' CE2' ' A' ' 5' ' ' PHE . 50.7 tt0 -62.35 -48.42 79.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.08 -47.23 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.0 p -61.76 -44.91 95.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.485 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -64.77 -43.65 92.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.638 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.23 82.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' CD2' ' NE2' ' A' ' 43' ' ' GLN . 61.9 mt -66.58 -27.77 67.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.627 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.92 11.54 78.89 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.6 tp -66.9 -43.87 82.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.677 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 55.62 93.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.586 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -68.68 128.74 37.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.521 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -65.08 -45.56 84.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -167.67 -39.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -150.9 166.65 29.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.466 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -152.82 149.72 28.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.444 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.535 ' SD ' ' N ' ' A' ' 1' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.31 127.0 0.93 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -95.33 8.07 44.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 0.0 110.465 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 5' ' ' PHE . 92.6 mt -86.33 157.95 3.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.525 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.413 ' N ' ' CG2' ' A' ' 4' ' ' ILE . 39.5 m-85 -69.12 133.0 47.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.49 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 p -83.33 161.92 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.6 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.7 -40.49 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.631 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -54.78 -40.98 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.632 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.45 -42.02 88.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.74 -40.65 92.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.74 -41.89 91.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.28 -49.17 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -72.38 -22.76 61.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.655 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -11.1 60.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.696 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' VAL . 60.8 mttp -63.61 -43.61 96.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LYS . 33.5 m 34.31 -146.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.427 0.455 . . . . 0.0 110.851 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -98.31 148.84 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.622 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.93 -130.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.622 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -150.69 115.63 3.28 Favored Pre-proline 0 N--CA 1.445 -0.723 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.766 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.77 159.86 38.15 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.734 2.289 . . . . 0.0 112.042 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 tt -84.18 131.17 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.686 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . -79.09 -161.91 22.09 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . 76.07 -64.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.831 0.348 . . . . 0.0 110.552 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.1 p -72.91 -40.42 65.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.356 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -79.15 -19.59 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.586 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -66.86 -27.9 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.19 87.94 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.15 -23.44 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.457 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mp -92.03 -45.37 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.283 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -61.46 -31.11 71.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.68 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -62.52 -36.68 83.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.87 -43.1 98.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.311 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.12 -42.47 99.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.144 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.48 -43.38 90.42 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.62 -25.47 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -80.93 -37.36 29.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.326 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -82.74 -22.49 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.339 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.3 158.11 35.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -159.21 142.27 14.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.63 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.66 -130.87 10.95 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -66.93 -19.86 65.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.38 -35.77 81.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.597 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -66.12 -36.73 83.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 ' O ' ' OG ' ' A' ' 47' ' ' SER . 65.8 mt -65.48 -42.9 94.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.71 -39.44 68.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.71 97.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.387 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 44' ' ' ILE . 89.6 p -62.88 -34.65 77.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.741 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.622 ' CE2' ' NZ ' ' A' ' 52' ' ' LYS . 51.0 t80 -61.15 -48.95 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.651 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -70.71 -45.08 65.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.929 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.27 -40.12 92.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.632 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 87.4 m-20 -53.31 -52.0 60.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.584 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.622 ' NZ ' ' CE2' ' A' ' 48' ' ' PHE . 30.8 mtmm -66.07 -45.9 79.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.825 0.345 . . . . 0.0 111.014 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.62 -48.0 82.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -43.84 94.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.38 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.638 ' ND2' ' NZ ' ' A' ' 74' ' ' LYS . 13.7 m120 -62.65 -38.53 90.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.342 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -58.31 -46.59 85.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.401 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.25 -41.41 88.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.639 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.82 -44.51 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.333 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.02 93.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.609 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.92 -39.75 63.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 52.6 m-70 -134.17 65.35 68.73 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.586 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.76 -19.81 30.92 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.709 2.272 . . . . 0.0 111.943 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -22.03 28.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.337 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.451 ' CB ' HH21 ' A' ' 66' ' ' ARG . 23.4 m -63.42 144.57 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.401 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.93 -18.91 53.25 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.674 ' H ' ' HE ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -66.76 -37.3 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.678 -0.307 . . . . 0.0 110.743 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 61' ' ' HIS . 51.5 p30 -64.31 -19.09 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.685 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.485 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 99.2 mm-40 -60.09 -42.66 95.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.48 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.31 -29.96 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.447 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.0 tp -69.26 -39.05 78.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.09 0.472 . . . . 0.0 110.694 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.8 m -64.77 -21.21 66.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.607 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -71.65 -22.8 61.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 73' ' ' LEU . 3.8 mm? -60.81 -48.0 83.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.638 ' NZ ' ' ND2' ' A' ' 55' ' ' ASN . 15.1 ptpt -63.84 -34.69 78.5 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.283 0.364 . . . . 0.0 110.711 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.84 -47.78 79.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.712 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.14 -43.75 90.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.79 -46.28 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.0 p -58.64 -40.4 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -63.33 -41.99 98.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.87 96.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.659 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.51 -32.59 74.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.741 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.1 54.98 3.64 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.42 -37.78 88.71 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.375 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -104.83 121.18 43.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.37 . . . . 0.0 110.064 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -71.44 145.03 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.404 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -106.57 126.61 52.49 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.376 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.8 m80 55.29 104.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.564 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -77.43 127.0 31.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.466 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.517 ' CE1' ' ND1' ' A' ' 90' ' ' HIS . 58.5 t-80 -135.51 113.27 10.96 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.587 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.517 ' ND1' ' CE1' ' A' ' 89' ' ' HIS . 74.3 m80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.604 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 ttp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.46 -168.7 41.7 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -63.58 -39.48 94.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.478 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.413 HG23 HD13 ' A' ' 4' ' ' ILE . 17.7 mm -89.84 130.39 39.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.499 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.53 ' CE2' ' NE2' ' A' ' 76' ' ' GLN . 43.3 m-85 -69.83 134.54 48.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.561 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -78.34 150.03 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.93 -46.94 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.62 -40.34 78.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.115 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.74 -47.42 75.32 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.269 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 14' ' ' ALA . 6.2 tp -70.85 -22.37 62.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.665 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.72 -45.94 85.1 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.604 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.93 -44.96 83.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -72.04 -23.22 61.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.48 -13.15 61.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.697 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 16' ' ' VAL . 69.0 mmtt -62.44 -43.56 98.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.701 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.633 ' CG2' ' H ' ' A' ' 17' ' ' PHE . 12.0 p 45.54 -178.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.988 0.423 . . . . 0.0 110.764 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.633 ' H ' ' CG2' ' A' ' 16' ' ' VAL . 94.6 m-85 -103.47 120.07 40.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . 58.41 119.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.647 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -152.57 114.91 2.84 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.668 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.97 143.05 41.56 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.737 1.625 . . . . 0.0 112.513 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.8 tt -74.88 137.17 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.328 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -159.68 -26.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.3 -6.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.703 0.287 . . . . 0.0 110.64 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.514 ' H ' ' C ' ' A' ' 22' ' ' GLY . 78.0 p -77.5 -17.36 58.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.591 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -77.32 -23.54 50.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -64.98 -32.2 73.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.77 -31.42 78.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.12 -25.44 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.72 0.295 . . . . 0.0 110.621 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mp -91.16 -32.73 15.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.314 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.84 -38.38 88.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.315 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -64.8 -30.02 71.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.11 -46.08 92.07 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.73 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.15 -43.1 92.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.189 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' ALA . 53.4 tp -63.86 -44.36 93.33 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.532 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.2 t -55.7 -23.46 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.385 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -79.0 -51.24 9.87 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.451 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -90.23 6.89 40.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.603 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -69.54 145.82 52.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.288 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -71.88 149.86 44.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.994 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' LYS . . . -34.23 -69.66 0.18 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.453 ' H ' ' CE ' ' A' ' 39' ' ' LYS . 60.8 ttm-85 -58.19 -42.79 86.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.449 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -64.32 -29.16 70.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 39' ' ' LYS . 59.6 tt0 -67.36 -37.8 83.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' O ' ' OG ' ' A' ' 47' ' ' SER . 95.1 mt -64.12 -44.49 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.84 85.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.938 0.399 . . . . 0.0 110.643 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.8 85.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.601 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.602 ' HG ' ' N ' ' A' ' 48' ' ' PHE . 87.0 p -61.8 -42.57 99.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.832 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.602 ' N ' ' HG ' ' A' ' 47' ' ' SER . 49.5 m-85 -64.18 -36.01 82.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -64.14 -51.62 63.01 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.361 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.48 -37.48 87.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.047 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -50.91 -49.11 60.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -43.13 94.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.385 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -62.59 -49.22 76.11 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.782 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.4 -45.29 79.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.833 0.349 . . . . 0.0 110.441 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -62.44 -44.58 96.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.573 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 65.8 t0 -65.59 -38.18 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.595 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CZ ' ' CE1' ' A' ' 61' ' ' HIS . 56.0 t80 -59.38 -41.84 90.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.376 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.53 -43.53 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.1 92.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.443 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.83 -4.32 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.7 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CE1' ' CZ ' ' A' ' 57' ' ' TYR . 49.9 m80 -125.78 66.58 57.51 Favored Pre-proline 0 N--CA 1.467 0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.429 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.73 -15.57 37.25 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.561 2.174 . . . . 0.0 111.978 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 64' ' ' SER . 53.1 p -86.76 -4.77 59.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.646 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 63' ' ' THR . 11.3 t 58.43 148.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.655 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.37 -101.11 0.17 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -82.83 -10.93 58.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.519 ' OD1' ' NE2' ' A' ' 68' ' ' GLN . 25.8 p-10 -66.61 -20.33 65.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' NE2' ' OD1' ' A' ' 67' ' ' ASN . 15.3 mp0 -64.19 -34.96 79.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.174 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.61 -40.6 69.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.763 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 9.7 mp -64.82 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.511 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 m -57.2 -35.34 69.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.599 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -61.6 -38.2 86.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.783 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.19 -43.73 98.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.77 -44.46 93.86 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.444 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' O ' ' OG ' ' A' ' 79' ' ' SER . 80.7 mm-40 -65.97 -38.85 89.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.859 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.53 ' NE2' ' CE2' ' A' ' 5' ' ' PHE . 86.3 mt-30 -70.39 -49.05 53.05 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.243 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.43 -50.05 81.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.333 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.1 t -62.72 -39.68 94.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 75' ' ' GLU . 38.2 m -61.72 -35.9 79.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.567 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.28 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.645 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.0 mt -65.92 -28.98 69.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.486 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.29 14.44 62.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 84' ' ' GLU . 75.2 mt -65.71 -41.84 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.721 0.296 . . . . 0.0 110.567 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 83' ' ' LEU . 39.0 tp10 59.43 132.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.7 140.52 40.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.469 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -133.98 127.52 32.53 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.266 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -101.77 117.15 34.26 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.193 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.475 ' CD2' ' H ' ' A' ' 90' ' ' HIS . 67.3 t60 -73.58 150.93 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.539 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -59.63 -42.07 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.475 ' H ' ' CD2' ' A' ' 88' ' ' HIS . 83.7 t60 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.267 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 ptm . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 4' ' ' ILE . . . -173.37 171.88 44.79 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -64.4 72.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.371 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 2' ' ' GLY . 88.7 mt -92.99 131.88 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.601 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -64.99 132.81 50.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 110.39 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -67.01 144.15 56.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.442 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.28 -37.59 80.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.56 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -58.08 -45.51 87.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.603 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.39 -29.04 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -64.02 -37.14 86.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.485 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -59.1 -42.54 90.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -36.09 72.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.83 0.348 . . . . 0.0 110.475 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -73.88 -39.38 63.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.655 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.15 -19.29 62.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.998 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -61.95 -8.43 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 p -75.41 -33.84 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 90.4 t80 -113.69 140.47 48.21 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.428 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' O ' ' CD2' ' A' ' 17' ' ' PHE . . . -58.67 142.58 49.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -72.1 146.43 89.87 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.57 159.52 53.23 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.527 2.152 . . . . 0.0 112.177 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.12 155.12 7.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.447 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.01 -115.15 4.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.26 49.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.509 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -80.51 -14.82 57.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -73.18 -17.52 61.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.614 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.62 -37.06 80.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.591 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.5 -35.18 90.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.1 mm -69.52 -23.9 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.816 0.341 . . . . 0.0 110.72 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -93.28 -42.4 9.35 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.71 -43.6 98.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.627 HE21 ' NZ ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -63.96 -46.93 82.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 -179.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 32' ' ' LEU . 3.8 mm? -62.33 -40.78 97.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.055 0.455 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.89 -43.93 86.8 Favored 'General case' 0 C--N 1.311 -1.065 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.218 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' ALA . 56.4 tp -69.15 -49.75 54.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.251 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.71 -25.88 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.56 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -78.94 -43.53 24.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.394 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -85.14 -22.35 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.474 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -75.64 163.08 27.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.577 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.94 168.42 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.591 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.66 -145.9 39.4 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -68.49 -22.2 64.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 0.0 110.638 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 67.0 t0 -63.84 -35.07 79.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.384 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.18 -29.74 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.539 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.452 ' O ' ' OG ' ' A' ' 47' ' ' SER . 96.0 mt -64.69 -42.91 96.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.312 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.12 82.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.627 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.04 93.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.492 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 44' ' ' ILE . 83.8 p -62.4 -39.27 92.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.708 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.59 -46.01 91.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.465 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -66.3 -42.87 87.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.385 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.25 -39.87 94.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.613 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.47 -40.84 83.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.289 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -64.1 -44.95 90.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.627 ' NZ ' HE21 ' A' ' 31' ' ' GLN . 85.4 mttt -65.14 -47.87 75.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.633 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.36 -45.69 85.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.432 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -64.45 -45.62 86.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.701 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -63.39 -39.73 95.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.636 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.48 -41.64 81.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.49 -43.99 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.435 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.69 80.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.535 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -71.62 -41.14 69.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -137.13 65.86 52.05 Favored Pre-proline 0 N--CA 1.466 0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.41 -22.88 15.74 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.726 2.284 . . . . 0.0 111.94 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.7 p -76.03 -24.76 55.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.5 t -70.21 139.71 52.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.35 -20.38 64.57 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' NE ' ' H ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -63.79 -34.96 79.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.712 0.292 . . . . 0.0 110.588 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 52.1 p-10 -58.28 -17.18 17.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.47 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 99.3 mm-40 -64.19 -40.7 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.82 -37.3 70.36 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.999 0.428 . . . . 0.0 110.414 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.65 -38.18 90.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.9 m -62.74 -22.71 66.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.677 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.04 -34.19 75.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.682 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.87 -39.14 93.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.741 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.96 -54.76 42.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.676 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.09 -33.98 76.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.663 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.49 -54.07 42.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.3 t -61.96 -44.9 99.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 m -59.35 -44.08 92.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.695 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.7 t -62.72 -39.15 93.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.03 -38.79 76.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.71 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.55 -29.72 69.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.658 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.46 16.3 64.5 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 85' ' ' HIS . 79.9 mt -65.62 -41.13 93.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.644 0.259 . . . . 0.0 110.751 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 57.49 -79.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.513 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 83' ' ' LEU . 95.5 m-70 -79.14 -99.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.671 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 87' ' ' HIS . 86.4 t60 -160.85 169.42 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.446 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.563 ' N ' ' CG ' ' A' ' 86' ' ' HIS . 4.4 p-80 -152.18 156.14 39.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.301 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' A' ' 89' ' ' HIS . 81.0 m80 -108.08 123.54 48.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 88' ' ' HIS . 69.1 m80 -157.65 -101.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.538 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.426 ' CG ' ' OXT' ' A' ' 90' ' ' HIS . 55.7 p-80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.556 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.515 ' N ' ' CB ' ' A' ' 46' ' ' ALA . . . 179.89 138.5 3.39 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.489 ' N ' HG21 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -148.09 -3.34 0.51 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.683 0.278 . . . . 0.0 110.943 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.601 ' N ' ' CD1' ' A' ' 4' ' ' ILE . 1.3 mp -81.69 162.07 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.065 0.46 . . . . 0.0 110.53 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.539 ' CD2' ' N ' ' A' ' 6' ' ' THR . 28.6 t80 -57.95 167.69 1.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.414 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.539 ' N ' ' CD2' ' A' ' 5' ' ' PHE . 10.1 m -61.33 158.31 14.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.627 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' LYS . 97.2 t -66.36 -22.06 29.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.739 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -54.26 -42.18 69.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -64.21 -48.35 76.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.18 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.9 tp -71.38 -28.46 64.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.929 0.395 . . . . 0.0 110.624 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 7' ' ' VAL . 15.8 ttmm -59.63 -39.48 84.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.619 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.05 -44.76 95.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.58 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -68.3 -33.78 74.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.78 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.61 -8.52 52.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.568 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -51.45 -36.06 42.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 m -78.61 148.22 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.427 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.549 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 53.1 p90 -70.82 120.44 16.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.669 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 175.57 66.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.133 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -96.52 114.71 64.91 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.444 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.22 145.14 45.15 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.562 2.175 . . . . 0.0 112.021 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.0 mm -70.51 151.52 9.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.97 12.78 67.71 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 41.09 42.16 1.53 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.832 0.349 . . . . 0.0 110.782 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.5 m -79.86 -16.56 55.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.563 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -78.01 -20.05 53.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.69 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.15 -41.4 99.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.562 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.75 -20.6 76.14 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.3 mm -70.91 -27.15 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.708 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 mp -92.61 -19.41 21.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.44 -40.1 89.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.393 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -66.71 -35.9 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.712 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 32' ' ' LEU . 9.0 mp -61.89 -43.86 97.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.699 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.62 -31.56 72.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.966 0.412 . . . . 0.0 110.616 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 37' ' ' GLN . 76.4 mt -71.5 -21.97 61.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.489 HG21 ' N ' ' A' ' 3' ' ' GLN . 78.6 t -46.73 -23.84 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.553 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -87.46 -34.45 18.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.594 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' LEU . 87.6 mt-30 -82.08 -34.13 29.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.751 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.84 150.27 42.84 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 110.639 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.75 156.1 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.64 -129.14 48.2 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.38 -40.81 92.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.772 0.32 . . . . 0.0 110.51 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.62 -36.01 75.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.463 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.74 -51.26 51.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.715 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.38 -42.77 96.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.206 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.91 -38.63 57.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.601 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.515 ' CB ' ' N ' ' A' ' 2' ' ' GLY . . . -62.88 -35.57 80.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.382 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.3 t -62.65 -55.88 22.9 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.047 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -63.74 -29.26 70.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.758 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.15 -61.73 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.744 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.87 -31.81 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -42.06 -59.83 1.62 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -66.44 -36.05 81.82 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.139 179.075 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -61.13 -44.64 97.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.72 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.21 -47.5 87.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -65.16 -44.63 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 0.0 110.73 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.99 -40.96 91.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.726 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -58.97 -47.59 84.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.483 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.458 ' CD1' ' OG1' ' A' ' 71' ' ' THR . 97.8 mt -63.38 -42.21 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.347 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.79 -26.95 58.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.45 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -71.16 -41.08 70.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.523 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -139.27 66.67 37.99 Favored Pre-proline 0 N--CA 1.464 0.253 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.532 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.02 -11.63 25.5 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.885 2.39 . . . . 0.0 112.026 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -25.9 64.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.311 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.6 t -76.96 129.04 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.476 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.76 -35.14 79.37 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -63.86 -36.42 83.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.603 0.239 . . . . 0.0 110.639 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -60.72 -27.25 67.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.331 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -68.73 -23.27 64.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.012 0.434 . . . . 0.0 110.493 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.13 -24.15 60.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.756 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.8 mm? -63.06 -41.82 99.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.652 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.458 ' OG1' ' CD1' ' A' ' 58' ' ' ILE . 26.3 m -50.52 -22.07 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.41 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -62.2 -44.01 97.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.738 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' A' ' 73' ' ' LEU . 10.9 mp -62.0 -40.06 94.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.386 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -55.01 -54.91 37.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.767 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 78' ' ' THR . 14.8 pt-20 -67.52 -25.19 65.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.958 0.408 . . . . 0.0 110.68 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -66.61 -32.56 73.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 t -58.53 -45.54 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.818 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 75' ' ' GLU . 24.3 p -53.55 -39.77 65.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.368 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 m -64.94 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.161 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.05 71.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.2 -31.78 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 48.4 35.39 15.17 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.02 -30.91 64.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.676 0.274 . . . . 0.0 110.655 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -126.56 132.84 51.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.298 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -64.29 -43.96 93.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.43 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -86.53 166.13 15.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.53 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -77.54 154.97 31.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.635 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -76.77 140.69 40.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -75.26 149.9 38.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.598 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.5 t60 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.49 179.875 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.08 167.07 15.37 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -154.98 148.11 24.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 0.0 110.46 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 5' ' ' PHE . 96.6 mt -136.61 159.81 37.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.383 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.452 ' CD2' ' OE1' ' A' ' 9' ' ' GLU . 18.4 m-85 -96.11 117.0 29.85 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.36 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.1 p -80.13 164.41 23.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.423 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.28 -29.0 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.64 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -57.21 -39.21 74.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.68 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' OE1' ' CD2' ' A' ' 5' ' ' PHE . 97.1 mt-10 -68.19 -40.65 82.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.603 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 4.1 mm? -64.87 -41.95 95.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.19 -43.74 98.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.4 -42.01 93.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -69.92 -35.09 74.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.703 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' C ' ' H ' ' A' ' 16' ' ' VAL . . . -68.05 -10.33 52.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.438 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -51.74 -13.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.501 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.434 ' H ' ' C ' ' A' ' 14' ' ' ALA . 83.4 t -68.29 -42.4 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.392 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -126.69 157.17 39.74 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.453 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.0 122.21 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -48.49 148.3 3.55 Favored Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.937 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.59 146.04 78.16 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.66 2.24 . . . . 0.0 111.951 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.532 ' C ' ' H ' ' A' ' 23' ' ' ALA . 96.0 mt -78.37 154.92 5.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.603 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.07 32.3 0.77 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.532 ' H ' ' C ' ' A' ' 21' ' ' ILE . . . -74.82 -158.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.486 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.0 p -75.09 -18.64 60.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -76.16 -21.64 56.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -64.51 -17.19 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.438 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.57 -18.97 2.8 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mm -66.92 -41.86 88.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.645 0.259 . . . . 0.0 110.58 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.24 -39.16 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.374 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.98 -47.4 80.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.628 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -61.12 -25.53 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.304 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -42.72 98.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.183 0.516 . . . . 0.0 110.164 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -62.87 -35.67 80.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.352 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.1 mp -63.65 -36.99 85.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.3 t -54.19 -24.4 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.583 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -83.76 -51.4 7.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.818 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -84.99 -4.01 58.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.028 0.442 . . . . 0.0 110.598 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -68.94 146.37 52.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.331 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 43' ' ' GLN . 2.7 mptp? -74.55 166.54 23.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.539 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.97 -61.18 4.06 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.63 -40.8 92.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.695 0.283 . . . . 0.0 110.526 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -67.23 -23.34 65.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.776 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 39' ' ' LYS . 57.3 tt0 -67.12 -36.26 81.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.315 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.429 ' O ' ' OG ' ' A' ' 47' ' ' SER . 1.9 mp -66.0 -44.03 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.243 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.96 -41.19 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.401 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.38 96.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 44' ' ' ILE . 78.2 p -63.85 -41.86 97.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.642 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.63 -43.37 93.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.39 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -66.9 -45.78 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.332 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.59 -37.48 86.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.632 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -55.85 -46.23 78.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.394 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.83 -46.6 81.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.045 0.45 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.91 -44.36 96.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.626 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.51 -45.14 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.636 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -63.66 -41.6 98.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.62 -45.43 90.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.41 -45.98 90.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.464 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -45.38 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.414 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.3 -32.8 74.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 45.6 tp10 -69.61 -41.58 75.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.499 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.41 ' ND1' ' O ' ' A' ' 60' ' ' GLU . 61.0 m-70 -142.35 67.63 20.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.696 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.33 -18.02 16.29 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.771 2.314 . . . . 0.0 111.979 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.2 p -85.56 -16.95 37.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.436 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.7 p -54.7 -102.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.744 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.07 -38.13 0.42 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -64.98 -35.69 81.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.733 0.302 . . . . 0.0 110.472 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 70' ' ' LEU . 7.8 m120 -61.6 -30.97 71.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -46.89 -20.26 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.5 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' ASN . . . -84.37 -30.58 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.387 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' ASN . 97.5 mt -66.74 -39.3 87.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.784 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -58.38 -28.71 65.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.637 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -61.45 -38.2 86.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.148 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.69 -40.14 96.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' O ' ' OG1' ' A' ' 78' ' ' THR . 88.1 tttt -56.83 -51.57 68.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.036 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.05 -36.01 77.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.993 0.425 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -66.75 -59.94 3.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 78' ' ' THR . 9.5 p -57.67 -43.45 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.468 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 23.8 p -61.33 -40.51 94.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.7 m -62.01 -40.14 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.4 83.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.64 -32.66 74.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.32 55.08 2.97 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 4.2 mm? -63.98 -40.19 95.83 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.697 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 56.2 mp0 -109.2 26.98 10.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.309 0.381 . . . . 0.0 110.141 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.483 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 60.0 t-80 -139.59 0.71 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.562 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' HIS . 58.3 t-80 -108.46 70.69 0.76 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.706 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.8 t60 58.77 -76.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.655 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 86' ' ' HIS . 0.4 OUTLIER -147.63 164.67 32.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.636 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -151.36 163.7 38.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.499 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.553 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.0 mtp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.9 -63.07 0.09 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.411 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 87.2 mt-30 -64.34 -37.01 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.311 . . . . 0.0 110.644 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt -91.95 130.68 40.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.485 ' CD1' ' NH2' ' A' ' 13' ' ' ARG . 78.5 m-85 -70.32 134.49 47.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.391 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 p -80.64 158.15 25.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.461 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.56 -45.53 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.647 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -58.05 -46.3 85.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.783 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.05 -35.74 78.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.97 -38.75 92.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.498 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -57.49 -35.91 70.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -58.43 -56.73 18.39 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.562 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 90.2 mtm180 -70.69 -38.29 73.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.639 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.46 -8.74 57.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.579 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' O ' ' A' ' 16' ' ' VAL . 65.8 tttm -55.15 -47.26 75.38 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.901 -178.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.64 ' CG2' ' H ' ' A' ' 17' ' ' PHE . 11.2 p 43.08 -177.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.048 0.452 . . . . 0.0 110.835 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.64 ' H ' ' CG2' ' A' ' 16' ' ' VAL . 91.1 m-85 -79.07 142.93 36.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.99 137.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -82.17 145.85 53.53 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.875 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.36 143.22 57.35 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 122.348 2.032 . . . . 0.0 111.912 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.619 ' H ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -90.88 144.31 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.356 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.19 143.86 4.62 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.48 7.75 6.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.729 0.299 . . . . 0.0 110.688 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.6 p -75.8 -14.83 60.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -69.06 -34.59 75.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -62.38 -17.12 58.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.777 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.04 -39.08 40.27 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.06 -24.29 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.654 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.3 mt -92.21 -29.22 16.56 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.585 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.1 -36.0 80.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.671 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.67 -32.27 73.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.014 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 4.0 mm? -62.32 -38.69 90.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.24 0.543 . . . . 0.0 109.826 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' OD1' ' OE1' ' A' ' 37' ' ' GLN . 63.8 t0 -63.02 -44.02 97.12 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.067 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.0 mp -69.48 -49.32 55.88 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.852 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 p -59.49 -26.36 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.299 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -80.51 -45.53 17.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.986 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' OE1' ' OD1' ' A' ' 33' ' ' ASP . 87.4 mt-30 -85.71 -14.81 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.662 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -75.51 162.05 28.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.701 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -161.62 140.32 9.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.473 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.29 -124.57 11.21 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 35.6 ptt180 -60.26 -37.32 80.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 111.03 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 91.0 m-20 -64.47 -35.78 82.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.473 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.404 HE22 ' HG ' ' A' ' 47' ' ' SER . 0.6 OUTLIER -66.82 -39.88 87.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.642 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -42.78 96.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.498 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.8 64.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.79 97.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.093 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.404 ' HG ' HE22 ' A' ' 43' ' ' GLN . 64.1 m -62.46 -46.36 88.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.007 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -62.95 -47.24 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -67.45 -46.02 74.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.79 -40.93 89.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -55.25 -53.65 53.37 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.394 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -36.93 80.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 0.0 110.215 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.23 -45.66 92.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.301 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.7 mt -67.28 -44.68 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.396 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -62.2 -41.0 97.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.582 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.6 -41.25 98.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.563 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -59.31 -46.38 88.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.44 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.9 -42.9 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.251 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.8 -34.41 71.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.496 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.55 -39.41 70.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.825 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -134.85 67.65 70.58 Favored Pre-proline 0 N--CA 1.467 0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.14 -12.91 19.28 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.863 2.375 . . . . 0.0 112.051 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -90.83 -9.47 46.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.501 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.438 ' OG ' ' OD1' ' A' ' 67' ' ' ASN . 56.4 p -54.82 -104.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.486 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.95 -45.05 0.62 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.507 ' NH2' ' O ' ' A' ' 13' ' ' ARG . 7.9 tpt180 -67.95 -16.73 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.59 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.605 ' N ' HD21 ' A' ' 67' ' ' ASN . 1.2 m120 -61.93 -24.2 66.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.405 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -48.53 -22.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.15 -25.78 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.429 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' ASN . 90.7 mt -68.86 -41.13 78.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -62.24 -20.71 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.05 -38.71 92.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.668 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.15 -41.13 99.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.25 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -57.13 -49.52 75.66 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.22 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.49 -34.6 77.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.594 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.411 ' NE2' ' O ' ' A' ' 3' ' ' GLN . 67.1 tp60 -63.69 -55.04 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.69 -47.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.443 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 m -60.87 -45.38 94.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.738 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.8 t -64.45 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.525 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.7 -48.8 72.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.656 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.7 mt -66.32 -30.46 70.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.503 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.14 18.54 71.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.471 ' O ' ' O ' ' A' ' 84' ' ' GLU . 65.0 mt -65.08 -42.0 94.52 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.656 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 83' ' ' LEU . 82.5 tt0 58.53 126.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.272 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.457 ' O ' ' O ' ' A' ' 84' ' ' GLU . 45.1 t-80 57.41 123.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.028 0.442 . . . . 0.0 110.655 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -72.26 143.7 48.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -88.11 78.33 8.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.366 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.491 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 1.8 t60 -66.44 -42.13 88.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.61 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.491 ' NE2' ' CE1' ' A' ' 88' ' ' HIS . 97.7 m-70 -147.54 160.38 42.69 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 80.0 m80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.534 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.21 162.78 33.48 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 44.78 -102.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.599 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.7 mt -88.24 133.04 31.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -64.6 135.73 56.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.26 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 m -77.81 143.66 37.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.316 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' LYS . 7.7 p -64.21 -47.42 90.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.975 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -55.94 -31.56 63.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.737 0.303 . . . . 0.0 110.753 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -68.46 -61.36 1.87 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.432 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' ALA . 55.7 tp -68.73 -37.84 79.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 7' ' ' VAL . 63.9 tttp -58.22 -48.82 79.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.802 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.51 -43.77 89.04 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.954 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -70.03 -40.72 75.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.585 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -68.33 -39.46 81.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.22 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 17' ' ' PHE . 34.4 mmtm -63.3 -39.97 96.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.4 t 55.94 -77.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.452 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' N ' ' O ' ' A' ' 15' ' ' LYS . 80.0 t80 -71.77 170.54 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.56 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.524 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -49.03 140.52 9.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.415 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.496 ' N ' ' CD ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -67.02 121.01 76.2 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.955 -178.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.63 151.26 36.58 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.997 1.798 . . . . 0.0 112.214 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -91.68 127.68 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.265 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -166.26 -32.74 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . 76.46 -29.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.467 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.507 ' H ' ' C ' ' A' ' 22' ' ' GLY . 70.5 p -73.52 -25.48 60.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.683 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -75.8 -22.07 56.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.638 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -65.2 -20.38 66.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.81 -22.09 11.26 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.4 tt -68.22 -24.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.557 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -90.68 -28.47 18.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.575 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -59.16 -47.88 83.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.458 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.47 ' NE2' ' CD ' ' A' ' 49' ' ' GLU . 8.2 tp-100 -66.68 -46.56 75.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.8 -43.18 99.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.513 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 54.5 t0 -62.69 -36.79 84.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.346 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.6 tp -62.83 -37.65 87.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.553 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.26 -30.02 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.264 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -78.26 -41.83 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -84.05 -19.8 33.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.613 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -78.81 164.89 24.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -163.09 139.07 6.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.58 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.75 -122.28 13.67 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -61.76 -40.69 96.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.929 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 65.1 t0 -62.93 -37.08 85.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.552 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -66.14 -41.05 90.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 0.0 110.486 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG23 HD12 ' A' ' 44' ' ' ILE . 96.4 mt -65.11 -42.71 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.627 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.62 -41.84 64.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.52 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.94 92.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.951 0.405 . . . . 0.0 110.273 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.0 t -62.16 -44.24 97.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.96 -46.56 87.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CD ' ' NE2' ' A' ' 31' ' ' GLN . 80.7 tt0 -67.42 -40.52 85.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.872 0.367 . . . . 0.0 110.503 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.88 -35.69 79.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.351 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.526 ' C ' HD21 ' A' ' 51' ' ' ASN . 0.3 OUTLIER -57.28 -45.95 83.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.654 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -66.01 -40.32 91.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.124 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.57 -51.01 71.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.999 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 98.0 mt -68.32 -44.56 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.96 0.409 . . . . 0.0 110.303 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -62.19 -44.52 96.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.16 -41.09 97.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -59.49 -41.98 91.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.343 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.53 -43.66 98.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.348 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 -27.42 67.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.492 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -72.04 -40.46 68.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -137.37 65.54 49.53 Favored Pre-proline 0 N--CA 1.468 0.449 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.604 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.86 -15.74 26.4 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.702 2.268 . . . . 0.0 111.842 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.4 t -80.94 -25.07 37.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.8 p -80.79 151.17 28.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.396 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.89 -12.36 52.95 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.5 tpt85 -61.88 -36.31 80.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.348 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.665 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -60.65 -34.78 74.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.555 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -44.54 -23.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.22 -47.25 44.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.6 mp -64.53 -38.69 91.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.236 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.3 m -52.43 -42.43 64.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.1 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' O ' ' OE2' ' A' ' 75' ' ' GLU . 94.2 mm-40 -62.68 -31.17 72.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.366 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.94 -39.38 93.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.059 0.456 . . . . 0.0 109.877 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.57 -56.23 23.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.497 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 72' ' ' GLN . 2.9 pp20? -66.51 -24.75 66.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.642 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -63.19 -51.11 67.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.93 -46.38 96.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.832 0.349 . . . . 0.0 110.505 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.7 p -62.03 -33.48 74.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.656 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.4 t -62.62 -43.92 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.505 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.59 85.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.48 -31.58 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 47.49 54.59 10.42 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.702 ' H ' ' CD1' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -73.97 -5.99 44.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.514 179.502 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 59.25 111.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.42 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -76.47 142.15 41.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.384 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -100.56 132.24 46.05 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.419 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -50.06 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.567 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 83.1 t60 41.66 89.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -145.99 138.85 25.73 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.582 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.56 -36.17 93.0 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 47.98 71.74 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.387 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.1 mt -91.56 131.25 39.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.499 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -69.2 132.18 46.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 m -83.4 160.62 21.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.561 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.07 -43.33 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.621 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -54.95 -41.23 70.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.58 -33.35 73.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.918 0.39 . . . . 0.0 110.76 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.17 -18.11 64.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.871 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -54.97 -39.39 68.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.379 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -64.23 -42.07 96.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.374 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -70.18 -35.73 74.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' A' ' 16' ' ' VAL . . . -69.89 -10.56 58.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.551 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -51.12 -10.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.397 . . . . 0.0 110.325 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 14' ' ' ALA . 80.1 t -79.78 133.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.379 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -90.62 117.78 29.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.458 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 178.35 65.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.775 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.629 ' HZ1' ' CA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -78.81 115.98 56.26 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.99 -179.627 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -75.26 163.95 33.8 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.326 2.017 . . . . 0.0 112.408 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.405 HG22 HD11 ' A' ' 21' ' ' ILE . 19.2 mm -60.37 144.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.05 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.38 -129.56 9.57 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.72 48.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.601 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.3 m -79.84 -15.71 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.629 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -70.55 -39.55 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.51 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -63.61 -36.66 84.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.53 ' O ' ' NE2' ' A' ' 31' ' ' GLN . . . -59.61 -28.64 65.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.8 mt -68.52 -24.01 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 110.483 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -90.21 -40.57 12.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.561 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.35 -44.36 97.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -64.59 -34.92 79.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.742 -179.642 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.16 -32.9 71.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.087 0.47 . . . . 0.0 109.868 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -71.98 -48.65 43.42 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.805 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.9 mp -66.01 -42.24 89.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.761 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.522 ' O ' ' NE2' ' A' ' 43' ' ' GLN . 1.3 p -53.01 -25.69 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.929 0.395 . . . . 0.0 110.151 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -80.73 -43.93 19.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.38 -14.19 50.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -76.4 163.19 27.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -165.03 140.47 5.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.765 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.19 -125.49 7.2 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.14 -36.55 82.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.768 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.84 -39.78 95.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 2.7 mm-40 -66.51 -44.07 83.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.426 ' O ' ' OG ' ' A' ' 47' ' ' SER . 97.3 mt -65.38 -43.55 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.464 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' OE1' ' A' ' 49' ' ' GLU . . . -58.75 -41.8 87.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.709 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.88 97.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 44' ' ' ILE . 87.6 p -62.0 -31.28 71.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.686 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.79 -44.58 93.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.645 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 45' ' ' ALA . 5.6 mp0 -66.32 -53.09 40.44 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.705 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 4.0 mm? -61.8 -42.38 98.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.858 0.361 . . . . 0.0 110.709 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.18 -45.8 93.14 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.424 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -67.37 -47.5 70.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.625 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.64 -47.41 83.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.637 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.74 -45.02 85.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.549 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.11 -45.88 89.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.995 0.426 . . . . 0.0 110.643 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -66.31 -38.22 87.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -58.15 -43.39 87.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.387 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.08 -44.62 99.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.447 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.9 92.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -71.11 -40.63 71.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -136.86 68.31 57.93 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.656 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.1 -14.89 20.79 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.642 2.228 . . . . 0.0 111.951 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.1 p -98.77 2.92 47.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.655 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.6 t -61.37 -43.9 98.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' A' ' 68' ' ' GLN . . . 88.62 -29.12 5.93 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -79.42 -18.15 52.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 49.0 p30 -63.24 -16.86 61.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.701 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.51 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 8.7 mp0 -55.63 -23.03 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.054 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.05 -43.43 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.845 0.355 . . . . 0.0 110.42 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.6 mp -64.35 -42.8 96.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -55.18 -28.61 54.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.328 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -64.03 -40.56 96.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.359 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.03 -42.14 97.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.646 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -57.15 -53.71 55.07 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.07 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -67.65 -34.24 76.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.668 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -52.44 64.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.779 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.27 -49.2 85.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.52 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.1 p -62.65 -43.13 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.734 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.1 p -64.91 -37.89 89.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.738 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.34 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt -68.17 -30.25 69.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.647 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.63 30.59 78.33 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 84' ' ' GLU . 2.1 pp -71.68 -20.5 61.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.61 0.243 . . . . 0.0 110.785 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 83' ' ' LEU . 81.7 tt0 58.92 122.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -46.68 152.47 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.298 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.499 ' CE1' ' O ' ' A' ' 88' ' ' HIS . 0.0 OUTLIER -151.22 155.79 39.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 -179.875 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -66.63 -39.47 88.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.499 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 97.7 m-70 -74.11 134.6 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.494 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -65.74 -42.95 90.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.661 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.609 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.607 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.8 9.87 86.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' A' ' 76' ' ' GLN . 87.7 mt-30 53.69 -169.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.293 . . . . 0.0 110.572 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.2 130.46 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -70.06 123.72 22.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.427 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 p -83.29 165.69 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.626 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.0 t -62.11 -47.08 94.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.694 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -56.91 -41.34 77.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -65.02 -49.13 71.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.22 -20.3 63.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -58.34 -44.24 88.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.465 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.03 -46.34 84.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.644 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -70.31 -37.34 74.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.713 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.88 -11.94 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.635 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' VAL . 64.4 tttp -64.32 -45.31 88.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.68 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LYS . 35.0 m 34.1 -143.48 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.417 0.448 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -145.75 156.25 43.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.928 0.394 . . . . 0.0 110.674 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.19 58.6 5.3 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.352 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.67 112.68 65.36 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.432 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.98 142.21 65.49 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.439 2.093 . . . . 0.0 112.017 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.5 pt -84.64 145.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.619 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.47 -128.36 0.94 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.38 -19.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.594 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.8 p -79.75 -15.73 56.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -70.92 -44.61 65.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.638 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -66.66 -29.33 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.33 -33.7 85.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.415 HG22 HD11 ' A' ' 28' ' ' ILE . 97.0 mt -70.13 -23.89 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 4.0 mm? -91.96 -38.51 12.22 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.546 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.19 -26.57 67.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -67.49 -35.09 78.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 32' ' ' LEU . 9.2 mp -61.28 -44.23 97.58 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.426 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.98 -38.63 91.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.985 0.421 . . . . 0.0 110.629 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.45 -18.98 62.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.776 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 32' ' ' LEU . 1.4 p -55.53 -27.54 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.522 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -85.48 -34.2 21.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.215 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -82.0 -25.29 34.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.63 140.03 49.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.47 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HG2' ' H ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -77.66 -179.93 6.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.55 -25.21 34.3 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -83.96 -60.59 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.751 0.31 . . . . 0.0 110.851 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.487 ' H ' ' HG2' ' A' ' 39' ' ' LYS . 38.8 t0 -64.39 -33.25 75.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 58.1 tt0 -61.91 -44.31 97.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.81 -43.66 93.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.465 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.87 -29.12 68.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.67 98.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.343 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.4 t -64.65 -43.47 93.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -61.85 -39.0 90.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.415 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.83 -52.96 57.78 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.724 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.98 -21.57 64.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.018 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -50.3 -57.23 8.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.263 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -66.41 -40.17 89.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.009 -179.449 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 52' ' ' LYS . 99.7 mttt -62.35 -46.59 88.0 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.3 mt -67.03 -46.04 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -63.68 -40.95 98.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.998 0.428 . . . . 0.0 110.799 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.89 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.389 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -48.93 79.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 62' ' ' PRO . 3.5 mp -65.26 -43.86 95.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.492 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.88 99.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -73.91 -38.26 64.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -134.56 66.97 71.14 Favored Pre-proline 0 N--CA 1.463 0.209 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.719 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ILE . 54.0 Cg_endo -72.73 -22.97 19.87 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.671 2.248 . . . . 0.0 112.014 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.0 m -69.74 -24.14 63.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.452 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -77.83 107.14 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.604 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.45 -33.83 88.28 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -59.61 -35.11 73.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.351 . . . . 0.0 110.6 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 69' ' ' ALA . 1.5 t-20 -60.99 -38.75 87.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.451 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -45.64 -20.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.479 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' ASN . . . -69.73 -33.09 71.99 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.46 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.8 mm? -64.36 -35.62 81.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.574 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.8 m -61.26 -28.41 69.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.759 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -62.19 -31.43 71.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.599 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 mt -61.17 -41.49 96.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 78' ' ' THR . 36.6 ttmt -59.17 -43.69 92.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.344 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.84 -42.58 85.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.586 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' A' ' 1' ' ' MET . 98.7 mm-40 -63.81 -54.8 29.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.608 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.48 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.433 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 74' ' ' LYS . 73.5 m -61.19 -46.84 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.5 m -63.5 -37.85 88.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.63 84.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.82 -32.69 74.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.74 55.42 2.99 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.618 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 4.2 mm? -63.99 -40.68 96.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.726 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -118.66 89.38 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.477 0.486 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -59.8 -43.89 94.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.524 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -91.14 171.63 9.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -147.1 157.71 43.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 88' ' ' HIS . 50.8 p-80 -103.45 116.21 31.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.361 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.436 ' CE1' ' OXT' ' A' ' 90' ' ' HIS . 58.2 t-80 -165.9 127.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.521 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.436 ' OXT' ' CE1' ' A' ' 89' ' ' HIS . 86.3 t60 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.509 ' SD ' ' N ' ' A' ' 1' ' ' MET . 4.2 mpp? . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.42 -1.93 83.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 24.1 mp0 56.08 54.23 8.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.763 0.316 . . . . 0.0 110.623 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.5 mm -91.78 135.41 27.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.746 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -61.13 138.27 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.32 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -79.62 158.38 27.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.616 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.05 -42.81 96.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.797 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -45.72 -35.82 4.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.703 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.43 -40.46 85.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 4.0 mm? -66.83 -36.99 83.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.744 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -59.16 -40.54 85.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.541 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.34 -44.87 93.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.418 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -68.99 -35.96 77.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.68 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.2 -8.93 56.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.578 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -54.13 -31.01 51.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.472 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.6 m -78.02 135.93 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.398 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -71.73 141.49 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.07 -73.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 157.87 47.9 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.764 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -50.41 144.5 24.1 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.214 1.943 . . . . 0.0 112.123 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.442 HG21 HD12 ' A' ' 21' ' ' ILE . 18.3 mm -76.05 130.84 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.465 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 24' ' ' SER . . . 82.1 179.45 52.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 61.29 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.494 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 22' ' ' GLY . 37.5 m -75.65 -33.04 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -69.23 -44.97 70.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 110.48 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -70.72 -37.09 73.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.03 -49.46 40.85 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 tp -69.49 -25.07 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.172 0.511 . . . . 0.0 110.671 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tt -89.65 -45.94 8.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.912 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 67.9 t0 -63.46 -37.77 88.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.756 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -59.02 -35.56 73.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.632 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.43 -39.3 90.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.85 0.357 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.15 -40.37 93.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.899 0.38 . . . . 0.0 110.208 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.2 mm? -64.65 -38.13 89.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.756 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.9 t -54.9 -22.6 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -81.46 -46.97 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.796 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -83.13 -21.25 33.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.702 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -74.84 141.38 44.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -142.74 145.17 33.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.143 0.496 . . . . 0.0 110.663 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.37 -126.77 19.77 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -42.71 93.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.194 0.521 . . . . 0.0 110.618 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -56.36 -44.24 79.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.408 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -67.13 -39.56 86.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.374 . . . . 0.0 110.588 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.07 -42.95 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.503 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.47 -42.34 70.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.02 93.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.183 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -63.22 -44.87 94.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.78 -44.23 97.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -65.92 -51.72 56.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.04 -35.1 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.537 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 29.5 t30 -51.87 -42.06 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -63.47 -45.12 92.24 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.791 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' CD ' ' N ' ' A' ' 53' ' ' LYS . 10.9 mptt -64.64 -44.68 89.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.564 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.47 -45.85 88.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.451 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.537 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 62.6 m-20 -63.43 -42.75 98.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.462 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 66.4 t0 -64.86 -38.38 90.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.582 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -56.99 -38.24 72.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.345 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.95 -43.82 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.331 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.38 75.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.87 -14.37 62.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.503 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.524 ' CD2' ' OG1' ' A' ' 63' ' ' THR . 8.5 t-160 -135.63 71.33 65.2 Favored Pre-proline 0 N--CA 1.464 0.226 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.324 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -53.61 -37.05 82.96 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.786 2.324 . . . . 0.0 112.184 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.524 ' OG1' ' CD2' ' A' ' 61' ' ' HIS . 34.0 p -69.68 -15.71 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.481 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m 68.48 -177.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 135.7 -80.79 0.3 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.9 mmt-85 -79.74 -10.76 59.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.799 0.333 . . . . 0.0 110.674 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' ALA . 4.5 m120 -62.56 -38.65 90.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -44.35 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.624 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ASN . . . -82.36 -61.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.646 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.26 -41.61 94.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 84.4 m -59.67 -44.82 93.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.13 -27.53 69.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.711 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.97 -42.38 99.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.019 0.438 . . . . 0.0 110.142 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.41 -47.32 86.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.625 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.05 -34.46 74.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.442 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' A' ' 3' ' ' GLN . 51.6 tt0 -64.02 -55.64 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.53 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.35 -44.79 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.372 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.1 m -60.21 -42.99 96.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.644 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.5 t -62.03 -39.7 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.429 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.53 -40.59 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -66.31 -30.96 71.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.759 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.64 28.43 65.34 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.83 -41.25 95.9 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.697 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 56.13 -173.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.535 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -81.57 -111.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -154.75 150.54 27.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.303 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -96.27 128.64 43.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.454 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -153.73 151.36 29.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.464 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.5 m80 42.44 73.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 90' ' ' HIS . 52.7 t-80 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.502 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.457 ' O ' ' CG1' ' A' ' 77' ' ' VAL . . . -102.96 -96.72 2.37 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.474 ' OE1' ' OG ' ' A' ' 47' ' ' SER . 1.2 tp60 -141.4 23.35 2.16 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.705 0.288 . . . . 0.0 110.502 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.47 ' N ' ' CG2' ' A' ' 77' ' ' VAL . 1.5 pp -137.42 161.46 34.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.19 0.519 . . . . 0.0 111.218 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CD2' ' N ' ' A' ' 6' ' ' THR . 59.7 t80 -108.14 171.33 7.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.693 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.568 ' N ' ' CD2' ' A' ' 5' ' ' PHE . 4.5 m -57.37 147.91 24.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 11' ' ' LYS . 7.8 m -61.77 -23.92 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.674 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -52.17 -43.88 64.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.685 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -69.58 -47.08 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 14' ' ' ALA . 4.8 tp -71.27 -21.29 62.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' VAL . 29.3 ttmt -57.72 -45.94 85.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.693 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -66.29 -45.44 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.815 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -76.21 -23.3 54.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -74.55 -10.39 59.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.738 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.7 tttt -62.78 -45.64 91.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.681 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' LYS . 33.1 m 34.37 -148.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 123.353 0.408 . . . . 0.0 110.715 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.68 147.24 26.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.028 0.442 . . . . 0.0 110.614 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.13 -168.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.435 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -90.96 160.73 37.26 Favored Pre-proline 0 N--CA 1.452 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.617 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.61 144.73 91.92 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.497 2.131 . . . . 0.0 112.225 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.92 134.18 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.653 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.17 -132.63 12.98 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.82 13.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -80.04 -15.98 56.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -74.61 -28.57 60.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -64.71 -38.7 91.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.64 -41.04 97.19 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 28' ' ' ILE . 81.5 mt -69.72 -23.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.698 0.285 . . . . 0.0 110.482 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -90.48 -22.44 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 110.49 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.76 -37.08 86.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -63.16 -32.88 74.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.59 -36.39 78.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.201 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -69.83 -48.02 60.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.069 0.461 . . . . 0.0 110.611 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' GLN . 4.0 mm? -64.86 -44.88 88.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.706 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -45.68 -24.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.582 -178.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.72 -35.02 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.946 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' LEU . 58.2 tt0 -83.16 -19.06 37.32 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.202 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.68 140.75 53.62 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.833 0.349 . . . . 0.0 110.474 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -143.26 146.48 33.66 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.27 -127.5 14.59 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -67.74 -19.89 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.718 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -63.78 -38.96 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.523 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -66.48 -40.74 89.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.702 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.07 -42.38 95.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.121 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.31 59.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.327 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -22.76 66.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.265 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.474 ' OG ' ' OE1' ' A' ' 3' ' ' GLN . 2.6 t -65.4 -55.23 19.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.08 -34.07 77.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.94 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -62.95 -63.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.345 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 3.8 mm? -63.54 -31.23 72.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -51.77 -61.09 2.47 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.232 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -67.0 -37.2 83.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.345 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.81 -48.02 80.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.775 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.27 -44.47 94.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.453 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -63.15 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.458 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.87 -41.68 99.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.534 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -61.09 -36.6 80.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.479 ' CD1' ' OG1' ' A' ' 71' ' ' THR . 96.4 mt -62.09 -43.28 97.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.103 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.8 81.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -74.0 -4.1 33.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.634 ' CG ' ' ND2' ' A' ' 67' ' ' ASN . 13.4 m80 -135.0 68.7 70.76 Favored Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -72.9 -12.43 26.17 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.679 2.252 . . . . 0.0 111.902 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.416 ' O ' ' CB ' ' A' ' 64' ' ' SER . 17.5 p -95.27 2.42 54.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.206 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 63' ' ' THR . 0.7 OUTLIER 77.02 151.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.522 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.53 -146.66 10.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -59.64 -32.03 70.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.781 0.324 . . . . 0.0 110.615 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.634 ' ND2' ' CG ' ' A' ' 61' ' ' HIS . 92.7 m-20 -61.98 -39.82 93.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.396 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -53.11 -38.85 62.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.414 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.21 66.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.334 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.97 -40.0 94.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.479 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.479 ' OG1' ' CD1' ' A' ' 58' ' ' ILE . 24.5 m -54.22 -23.06 13.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.433 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -65.5 -38.08 88.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.693 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.54 -23.16 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.712 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.81 -45.79 88.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.029 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.76 -21.92 61.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.265 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -57.84 -60.32 3.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 4' ' ' ILE . 61.1 t -57.85 -41.45 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.743 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.4 m -43.48 -45.68 6.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.336 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.4 t -72.88 -33.9 66.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.909 0.385 . . . . 0.0 110.401 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -59.58 -50.82 72.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 mt -67.47 -31.64 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.32 12.73 61.06 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.3 -41.72 93.82 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.753 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 55.61 20.74 4.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.702 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -90.75 123.6 34.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -160.4 40.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.529 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.83 -44.14 90.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.428 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.68 ' CG ' ' H ' ' A' ' 89' ' ' HIS . 75.6 t60 58.04 -179.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.68 ' H ' ' CG ' ' A' ' 88' ' ' HIS . 83.4 t60 54.59 -105.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.624 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.54 ' N ' ' CD2' ' A' ' 89' ' ' HIS . 85.6 t60 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.579 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.9 mm . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.773 0.321 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.574 ' HB2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -61.52 130.06 44.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 0.0 110.696 -179.48 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 m -80.51 145.48 31.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.995 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.27 -46.89 95.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -61.51 -40.7 95.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.908 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -66.39 -36.84 83.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.442 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD23 ' CD2' ' A' ' 29' ' ' LEU . 46.7 tp -64.46 -38.96 92.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.46 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.53 -37.18 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.739 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.98 -55.66 31.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.696 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.569 ' NH2' ' CB ' ' A' ' 69' ' ' ALA . 83.1 mtp180 -70.47 -37.63 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.619 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.56 -9.77 58.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.809 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' PHE . 88.8 tttt -58.85 -45.42 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.55 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.3 t 45.88 -87.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 15' ' ' LYS . 78.2 t80 -134.1 141.49 47.16 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.182 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.05 112.65 0.46 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -134.31 154.27 79.83 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.732 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -53.71 147.3 40.77 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 121.878 1.719 . . . . 0.0 112.381 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.7 mt -79.17 130.22 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.338 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -70.7 -39.79 66.27 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 76.18 -67.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.667 0.27 . . . . 0.0 110.527 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 t -78.14 -20.26 52.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.782 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -75.06 -17.19 60.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.67 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -55.42 -16.34 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.19 -24.38 28.73 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.2 tt -69.5 -23.24 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD2' HD23 ' A' ' 10' ' ' LEU . 40.0 mt -89.35 -31.09 17.95 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.365 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.02 -26.0 68.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.228 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.88 -38.02 89.53 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.692 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 35' ' ' VAL . 8.0 mp -61.35 -49.62 76.2 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.429 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.69 -38.8 64.75 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' HIS . 38.8 tp -62.42 -40.72 97.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.871 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.793 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.5 p -42.73 -19.28 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.156 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 34' ' ' LEU . 80.3 m80 -75.26 -11.57 60.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.675 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -85.06 -36.7 21.04 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.876 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 43' ' ' GLN . . . -76.65 152.54 35.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 36' ' ' HIS . 43.2 mmtm -147.76 157.17 43.41 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 110.196 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.45 -167.9 37.74 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 9.5 ptm180 -66.08 -22.72 66.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.843 0.354 . . . . 0.0 110.702 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.05 -35.45 80.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.906 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.555 HE21 HG22 ' A' ' 35' ' ' VAL . 59.7 tt0 -65.47 -55.21 19.17 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.078 0.465 . . . . 0.0 110.552 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 47' ' ' SER . 48.3 mt -71.85 -42.28 69.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.878 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 41' ' ' ARG . . . -50.67 -32.6 19.69 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.824 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -60.25 -31.1 69.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 44' ' ' ILE . 60.2 p -55.13 -34.33 63.65 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.709 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -79.77 -18.15 51.73 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.09 -66.42 0.56 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.81 -21.14 64.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.9 0.381 . . . . 0.0 110.971 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -40.37 -58.55 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.203 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -65.56 -42.32 91.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.981 0.419 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -62.98 -31.47 72.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.262 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.612 HG22 HG23 ' A' ' 71' ' ' THR . 5.6 mt -63.9 -24.84 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -49.8 -19.94 0.76 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.123 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.29 -37.75 88.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.631 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CE2' ' NZ ' ' A' ' 74' ' ' LYS . 37.7 m-85 -55.94 -43.01 77.04 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.735 HD11 HG21 ' A' ' 71' ' ' THR . 91.7 mt -63.56 -43.56 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.562 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.25 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.717 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.99 -41.33 71.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -138.25 65.28 42.24 Favored Pre-proline 0 N--CA 1.467 0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.58 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.85 -19.18 21.16 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.583 2.189 . . . . 0.0 112.109 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.4 p -73.29 -25.8 60.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.688 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.8 t -83.12 138.88 33.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.62 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.21 -14.56 74.16 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -65.16 -35.47 81.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.5 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -53.86 -34.78 60.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.195 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.99 -41.24 74.51 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.504 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.569 ' CB ' ' NH2' ' A' ' 13' ' ' ARG . . . -75.17 -48.84 21.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 70' ' ' LEU . 9.1 mp -62.45 -43.93 97.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.647 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.735 HG21 HD11 ' A' ' 58' ' ' ILE . 25.0 m -60.87 -53.17 60.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.824 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -69.1 -42.18 76.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.451 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 73' ' ' LEU . 3.1 tm? -66.03 -55.84 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.422 -0.511 . . . . 0.0 112.014 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' N ' HD13 ' A' ' 73' ' ' LEU . 40.4 mtmt -61.14 -38.87 87.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.275 0.56 . . . . 0.0 109.521 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 54' ' ' ILE . 3.6 tm-20 -53.15 -27.51 21.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.743 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -73.31 -68.58 0.48 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.716 HG13 ' N ' ' A' ' 78' ' ' THR . 13.8 p -87.67 -55.03 6.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.716 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -46.56 -41.65 14.68 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 121.116 -0.99 . . . . 0.0 108.707 -176.586 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.605 ' O ' ' N ' ' A' ' 81' ' ' LEU . 16.0 m -69.11 -31.37 70.04 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.016 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.824 ' O ' ' HB3' ' A' ' 46' ' ' ALA . . . -46.49 -5.81 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.122 0.264 . . . . 0.0 111.39 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 35' ' ' VAL . 85.6 mt . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 4' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 121.087 0.47 . . . . 0.0 110.745 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -58.03 165.3 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.266 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.6 p -74.24 155.76 37.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.13 0.491 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.3 m -67.26 -21.85 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.699 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -49.18 -46.14 45.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.73 -38.34 76.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.9 0.381 . . . . 0.0 110.482 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.24 -41.4 94.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.753 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.67 -40.99 94.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.632 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.07 -50.92 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.747 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -70.91 -37.88 72.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -9.85 58.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.675 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 ttpm? -57.02 -46.11 82.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.652 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 17' ' ' PHE . 21.8 t 39.66 -107.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.606 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' N ' HG12 ' A' ' 16' ' ' VAL . 76.1 m-85 -149.64 152.75 35.92 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.372 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 41.31 84.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -45.81 111.31 1.36 Allowed Pre-proline 0 N--CA 1.45 -0.473 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.385 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.77 146.28 67.39 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.298 1.999 . . . . 0.0 111.81 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.6 tt -66.1 138.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.547 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.0 161.73 52.32 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.1 -136.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.67 0.272 . . . . 0.0 110.551 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.1 t -80.1 -19.6 47.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.763 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 14.1 p90 -75.81 -17.65 59.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.666 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -58.01 -20.42 38.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.32 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.36 -20.8 7.57 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.8 tt -68.11 -24.87 30.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.776 0.322 . . . . 0.0 110.487 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.7 tp -91.15 -27.89 18.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.544 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.33 -41.53 97.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.2 mt-30 -65.26 -42.31 93.39 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.34 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 HG12 ' A' ' 4' ' ' ILE . 14.1 mt -59.36 -44.44 92.69 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.755 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -68.71 -47.87 65.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.04 0.447 . . . . 0.0 110.507 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.91 -44.27 85.73 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.259 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 31' ' ' GLN . 43.6 t -59.39 -22.85 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.536 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -71.22 -37.21 72.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 1.3 tm0? -88.11 -11.69 46.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.448 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.05 152.6 44.19 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.86 0.362 . . . . 0.0 110.616 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -157.47 141.77 16.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.395 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.22 -149.67 16.66 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -69.4 -27.35 65.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 40.1 p-10 -66.59 -35.6 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.69 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.474 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.6 tt0 -65.93 -39.47 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.49 -43.03 96.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.889 0.376 . . . . 0.0 110.238 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.15 -26.98 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.542 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.54 90.71 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.141 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 t -62.04 -46.14 90.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -63.58 -42.37 98.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.635 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -66.82 -51.58 53.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.492 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.04 -39.06 93.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.46 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.544 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 25.6 t30 -57.4 -50.16 73.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.81 -43.12 97.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.59 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -63.49 -47.61 81.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.582 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -66.21 -44.58 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.544 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 90.3 m-20 -62.55 -41.57 98.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.592 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.06 -38.9 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.583 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -57.49 -38.14 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.415 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' PRO . 97.3 mt -62.12 -43.42 97.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.304 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.49 79.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.453 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.14 -41.46 63.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -135.02 65.24 64.72 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.559 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' ILE . 55.6 Cg_endo -72.94 -21.09 21.39 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.698 2.265 . . . . 0.0 112.018 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.65 -22.82 34.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.441 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.0 m -67.56 142.46 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.461 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.76 -16.61 65.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -67.29 -35.25 79.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.802 0.334 . . . . 0.0 110.827 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 50.3 p30 -61.28 -18.74 59.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.597 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.458 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 86.3 mt-30 -63.41 -39.31 94.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.401 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.4 -20.9 39.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.321 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.61 -40.89 69.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 68' ' ' GLN . 2.7 t -66.0 -20.56 66.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.69 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.68 -31.3 72.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.621 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.47 -39.4 87.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.738 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.491 ' O ' HG12 ' A' ' 77' ' ' VAL . 63.8 tttm -59.13 -46.33 88.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.429 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 78' ' ' THR . 71.1 mm-40 -71.65 -35.56 70.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.933 0.397 . . . . 0.0 111.117 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.41 -40.12 95.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.045 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -50.07 -42.15 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.122 -178.515 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.452 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 12.1 p -68.18 -38.07 81.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.108 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.1 m -67.31 -39.24 85.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.606 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.42 -54.41 44.14 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.74 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.92 179.006 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 5' ' ' PHE . 96.6 mt . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.892 0.377 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.521 ' N ' HG22 ' A' ' 4' ' ' ILE . 64.2 m-85 -71.86 140.28 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.6 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -76.68 144.94 39.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.73 -42.34 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -51.98 -33.73 39.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.619 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -65.89 -41.54 91.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.652 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.1 mp -65.54 -38.15 88.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.84 -42.31 93.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.15 -49.42 69.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -70.7 -34.85 72.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.638 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -10.08 58.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.614 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.5 tttt -65.44 -47.37 76.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LYS . 1.5 m 30.05 -105.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 123.436 0.46 . . . . 0.0 110.693 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' O ' ' O ' ' A' ' 18' ' ' ALA . 97.1 m-85 -111.61 120.78 43.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.424 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . 52.55 172.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.652 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -88.92 156.95 49.24 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.717 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.95 139.89 32.52 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 122.027 1.818 . . . . 0.0 112.119 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.669 ' H ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -79.48 141.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.677 179.742 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 24' ' ' SER . . . 78.23 -20.49 3.97 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 21' ' ' ILE . . . 52.52 6.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.607 0.241 . . . . 0.0 110.732 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 22' ' ' GLY . 19.3 m -82.27 -16.96 47.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.937 0.398 . . . . 0.0 110.606 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.411 ' O ' HG22 ' A' ' 28' ' ' ILE . 91.9 m-85 -75.04 -17.83 60.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.74 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.57 -15.91 3.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.51 -29.82 48.65 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 25' ' ' TYR . 20.1 tt -69.38 -23.9 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 0.0 110.502 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.7 mt -90.09 -41.78 11.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.332 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.89 -36.31 82.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.765 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -63.65 -31.38 72.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.811 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 32' ' ' LEU . 87.9 mt -61.4 -40.18 93.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.263 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.8 -35.97 79.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.859 0.361 . . . . 0.0 110.412 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.5 mp -65.34 -31.12 72.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.656 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.7 -42.76 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.515 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -71.77 -38.33 70.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.661 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -81.92 -25.45 34.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.518 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -76.02 158.09 32.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -154.88 147.1 23.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.224 0.535 . . . . 0.0 110.714 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.95 -128.22 28.55 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.459 ' HD3' ' H ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -62.11 -34.49 76.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.873 0.368 . . . . 0.0 110.599 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.31 -41.01 98.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.422 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.5 -40.78 89.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 110.644 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.5 -42.8 96.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.333 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.28 -42.68 66.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.96 96.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.127 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.45 ' OG ' ' CG1' ' A' ' 77' ' ' VAL . 70.4 m -62.06 -43.52 98.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.904 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -61.88 -46.56 88.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -69.43 -42.63 74.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.36 -39.39 92.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.454 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.57 -41.85 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.126 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.98 -45.13 90.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -63.65 -44.54 93.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.642 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.0 mt -67.05 -46.92 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.448 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.6 -42.28 95.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.87 -38.35 90.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.548 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -57.02 -42.33 80.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.314 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' PRO . 97.6 mt -62.81 -44.17 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.1 85.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -71.79 -40.64 69.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.767 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -136.9 65.97 54.01 Favored Pre-proline 0 N--CA 1.466 0.354 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.588 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ILE . 56.1 Cg_endo -72.56 -23.49 19.84 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.647 2.231 . . . . 0.0 111.851 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.2 p -78.76 -24.12 44.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.62 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 m -72.06 143.15 49.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.402 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.25 -9.35 73.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -67.35 -36.7 81.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.836 0.35 . . . . 0.0 110.598 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -58.78 -17.27 21.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.425 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -58.65 -46.73 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.643 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.55 -36.58 68.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.987 0.422 . . . . 0.0 110.474 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.18 -38.6 91.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.1 m -62.88 -25.96 68.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.672 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -62.34 -30.54 71.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.917 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 73' ' ' LEU . 10.8 mp -61.85 -40.94 97.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.285 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -59.95 -45.29 93.12 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.496 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.75 -44.31 81.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.88 -53.57 48.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.604 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.45 ' CG1' ' OG ' ' A' ' 47' ' ' SER . 78.9 t -61.43 -46.57 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.444 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.2 m -60.33 -44.56 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.0 p -64.22 -32.49 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.485 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.32 85.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.651 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.4 mt . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 120.829 0.347 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.25 134.22 56.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.111 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 7' ' ' VAL . 27.2 m -100.99 168.33 9.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.404 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.601 ' N ' HG22 ' A' ' 6' ' ' THR . 73.7 t -60.71 -45.36 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.564 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -53.14 -39.49 63.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 110.64 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -70.28 -33.57 71.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.808 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.0 -19.98 61.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.205 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.18 -39.02 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.552 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.19 -41.0 99.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -70.3 -39.05 75.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . -75.85 -9.58 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.671 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.18 -41.71 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 16' ' ' VAL . 11.3 m -75.99 -22.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.713 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 14' ' ' ALA . 64.9 m-85 -98.11 146.36 25.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.363 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.24 72.71 1.01 Allowed 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.078 0.466 . . . . 0.0 110.511 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.616 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -91.25 166.26 19.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.282 -179.308 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.87 147.79 79.41 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.363 2.042 . . . . 0.0 112.16 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.2 mm -75.02 132.7 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.367 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.8 95.57 0.95 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.33 -167.78 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 m -77.06 -22.06 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.539 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -70.68 -37.9 73.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.508 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -64.01 -29.97 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.411 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.96 -34.3 88.42 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.86 -25.28 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.675 0.274 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD11 HG22 ' A' ' 7' ' ' VAL . 24.9 tp -91.87 -42.18 10.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.826 0.346 . . . . 0.0 110.54 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -60.18 -49.23 78.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.619 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.25 -25.66 67.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.232 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.44 -41.83 94.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -61.72 -37.0 82.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.0 mp -64.4 -37.73 88.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.695 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.8 t -54.2 -26.14 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.599 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -81.95 -46.44 14.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.2 -3.87 58.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.578 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -72.49 142.11 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.705 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 2.4 mptp? -75.64 176.25 7.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.618 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.05 -44.31 73.1 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -74.83 -46.78 34.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.954 0.407 . . . . 0.0 110.785 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -66.24 -31.27 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.962 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.65 -37.25 86.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.468 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.6 mt -64.5 -43.91 96.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.375 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.78 -40.99 85.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.93 89.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.187 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 m -60.8 -41.94 96.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -61.72 -44.79 96.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.655 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -65.78 -49.15 69.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.963 0.411 . . . . 0.0 110.408 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.03 -34.45 78.03 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.726 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -56.55 -52.78 63.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.124 -178.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 53' ' ' LYS . 16.9 ptpt -67.06 -41.16 86.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.364 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 96.3 mttt -63.24 -45.31 92.15 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.758 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.02 -47.41 85.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.621 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -65.19 -43.55 91.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.019 0.438 . . . . 0.0 110.91 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.86 -44.9 91.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.908 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -59.99 -49.84 76.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.433 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.65 -44.62 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.466 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.75 -25.02 67.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.518 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -68.65 -41.9 78.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.573 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CB ' ' HG ' ' A' ' 64' ' ' SER . 93.0 m-70 -144.99 71.63 14.82 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.645 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -56.1 -34.6 93.26 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.815 2.344 . . . . 0.0 111.925 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 63' ' ' THR . 85.4 m -73.19 0.85 10.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.697 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.411 ' HG ' ' CB ' ' A' ' 61' ' ' HIS . 58.9 m -56.88 -40.45 76.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.17 -50.59 3.99 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -64.22 -38.91 92.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.853 0.359 . . . . 0.0 110.427 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 70' ' ' LEU . 6.0 m120 -63.98 -19.18 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.205 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.497 ' O ' HG22 ' A' ' 71' ' ' THR . 59.4 tt0 -46.53 -32.54 3.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.497 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.31 -20.68 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.962 0.411 . . . . 0.0 110.58 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' ASN . 5.3 tp -63.16 -40.09 96.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.672 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 68' ' ' GLN . 3.6 t -56.85 -19.08 15.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.278 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -58.59 -39.36 80.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.348 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.1 mt -62.28 -40.63 96.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 51' ' ' ASN . 54.3 tttp -59.88 -47.6 85.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.648 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.6 -44.74 81.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.72 -53.4 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.6 t -61.2 -46.37 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.459 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.9 m -60.82 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.608 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.8 p -64.25 -33.52 76.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.531 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.75 89.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.7 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.827 0.346 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.432 ' CD1' ' NE2' ' A' ' 76' ' ' GLN . 5.2 m-85 -72.9 142.45 47.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.556 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -71.39 146.35 48.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.58 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 8' ' ' GLN . 12.6 p -62.64 -36.89 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.657 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' N ' HG13 ' A' ' 7' ' ' VAL . 57.9 tt0 -59.45 -41.76 90.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.06 -46.24 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.617 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.13 -36.81 82.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -58.26 -43.6 87.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.76 -42.15 95.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.635 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.13 -39.23 75.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.661 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.96 -10.43 59.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' PHE . 45.1 tptt -60.79 -43.46 98.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.6 t 46.5 -89.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.617 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 89.1 t80 -151.22 166.14 31.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.579 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.555 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . 52.46 173.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 114.26 13.5 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.06 140.99 23.22 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.537 2.158 . . . . 0.0 112.121 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 21' ' ' ILE . 20.7 tt -91.89 127.8 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.465 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.652 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 41.18 -116.61 0.92 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 81.28 155.76 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.823 0.344 . . . . 0.0 110.447 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.7 p -81.05 -12.89 59.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -67.34 -19.47 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.686 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.62 -22.9 66.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.74 -26.3 60.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mm -69.32 -42.08 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.773 0.32 . . . . 0.0 110.804 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.4 tp -89.76 -36.25 15.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.729 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -60.84 -35.48 76.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.226 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.22 -38.41 90.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.473 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD21 HD12 ' A' ' 73' ' ' LEU . 7.3 mt -60.28 -42.77 96.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.785 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 64.6 t0 -62.54 -38.49 90.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.287 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 38' ' ' ALA . 89.4 mt -63.57 -38.96 93.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -42.64 90.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -73.44 -36.17 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -83.84 -24.86 30.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.639 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -77.11 155.07 32.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -156.93 140.71 16.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.45 0.643 . . . . 0.0 110.312 -179.349 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.74 -138.27 14.74 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -63.79 -39.58 94.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 110.67 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 46.2 p-10 -61.12 -24.47 66.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -178.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 59.2 tt0 -67.57 -38.78 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 44' ' ' ILE . 1.9 mp -64.55 -43.58 96.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.65 -54.25 46.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.68 99.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.624 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -63.13 -50.21 71.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.919 0.39 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -64.35 -46.45 83.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.765 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -66.56 -37.17 84.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.472 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.11 -39.41 86.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.616 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -57.8 -42.26 83.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.231 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -64.44 -40.35 95.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.779 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.49 -44.62 95.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.778 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -45.18 93.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.541 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' OD1' ' CD ' ' A' ' 74' ' ' LYS . 89.4 m-20 -63.32 -45.36 91.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -65.32 -41.71 93.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.788 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -58.32 -43.92 88.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.374 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.25 -44.52 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.18 93.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.503 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -70.27 -41.51 73.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.791 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -138.02 70.1 49.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.74 -15.6 21.34 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.659 2.239 . . . . 0.0 112.086 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.6 p -98.35 1.85 47.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.387 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.4 p -62.32 -34.81 77.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.684 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.85 -39.39 2.72 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -70.41 -19.34 63.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.705 0.288 . . . . 0.0 110.57 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 51.2 p-10 -67.02 -17.66 65.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.607 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.466 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 65.1 tt0 -56.69 -34.5 67.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.07 70.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.3 mp -63.72 -40.92 97.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.896 0.379 . . . . 0.0 110.536 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.8 m -51.22 -36.73 43.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -62.13 -40.04 94.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 73' ' ' LEU . 4.0 mm? -61.92 -40.99 97.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.737 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 78' ' ' THR . 25.7 ttpp -57.58 -47.35 82.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.572 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 78' ' ' THR . 98.5 mt-10 -66.64 -38.14 86.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.64 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.432 ' NE2' ' CD1' ' A' ' 5' ' ' PHE . 81.8 mt-30 -64.64 -45.77 85.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 81' ' ' LEU . 72.4 t -60.4 -46.92 94.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.542 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 74' ' ' LYS . 33.7 p -52.11 -39.79 60.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.58 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 t -68.57 -59.42 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.09 -28.42 69.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 77' ' ' VAL . 44.4 tp . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.556 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.868 0.366 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.0 132.96 52.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.303 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 7' ' ' VAL . 11.2 m -79.09 159.57 27.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.423 ' N ' HG22 ' A' ' 6' ' ' THR . 20.7 m -63.71 -37.78 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.663 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -52.51 -47.09 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.828 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.37 -36.65 77.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.653 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 14' ' ' ALA . 4.8 tp -64.17 -36.23 83.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.66 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.25 -41.74 80.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.735 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.61 -47.05 80.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.663 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -74.58 -23.81 58.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.25 -9.94 59.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.736 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 17' ' ' PHE . 10.2 mtpm? -58.52 -45.41 88.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.7 t 39.24 -90.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.898 0.38 . . . . 0.0 110.95 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' LYS . 90.8 t80 -150.79 163.79 37.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.501 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -63.09 115.45 4.47 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -136.29 149.2 67.16 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.046 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -46.85 142.29 10.78 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.087 1.858 . . . . 0.0 112.247 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 pt -88.8 146.26 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.573 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.99 164.11 34.1 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.29 -25.37 63.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.911 0.386 . . . . 0.0 110.643 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 m -80.24 -18.03 50.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.446 ' O ' HG22 ' A' ' 28' ' ' ILE . 87.4 t80 -70.59 -46.75 62.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -69.01 -16.86 63.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.632 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' C ' ' NZ ' ' A' ' 53' ' ' LYS . . . -52.19 -30.36 31.52 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 25' ' ' TYR . 19.6 tt -69.36 -27.39 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.923 0.392 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -91.35 -39.74 11.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.658 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 64.2 t0 -60.23 -39.14 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 35' ' ' VAL . 10.7 tp-100 -65.19 -36.65 84.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.277 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.27 -51.43 69.6 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.439 -178.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -63.38 -35.83 81.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.378 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.9 tp -62.45 -40.9 98.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.742 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 31' ' ' GLN . 40.9 t -55.34 -22.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.292 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -84.16 -46.02 12.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -85.78 -10.81 54.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.974 0.416 . . . . 0.0 110.568 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -72.2 140.39 48.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 43' ' ' GLN . 31.7 mmtm -81.12 175.15 10.9 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.73 -25.76 9.71 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -86.75 -59.05 2.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.812 0.339 . . . . 0.0 110.664 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -65.64 -28.38 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 56.1 tt0 -64.16 -41.11 97.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.284 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.01 -43.31 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.408 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.06 -35.19 70.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.31 82.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.342 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.4 p -62.19 -45.16 94.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -63.34 -45.94 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -67.39 -48.57 66.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.455 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.69 -40.45 97.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -59.0 -48.44 81.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.595 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -64.04 -39.76 94.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.359 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' NZ ' ' C ' ' A' ' 27' ' ' GLY . 37.7 ttmt -62.43 -45.99 90.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.554 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.92 -44.64 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -63.27 -41.14 98.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.86 -39.35 94.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.66 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.78 -43.47 90.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.95 -44.78 99.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.374 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.44 83.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -71.67 -40.57 69.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.619 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -137.5 66.57 50.96 Favored Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.716 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.32 -15.33 22.62 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.762 2.308 . . . . 0.0 111.912 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.1 p -91.99 -15.28 28.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 t -61.08 -44.9 96.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.37 -19.51 8.44 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -72.11 -20.44 61.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.845 0.355 . . . . 0.0 110.59 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' LEU . 88.8 m-20 -65.93 -23.69 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.302 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -44.73 -30.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.617 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.76 -36.81 70.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.285 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' ASN . 58.1 mt -67.18 -37.35 83.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.948 0.404 . . . . 0.0 110.613 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -58.47 -29.98 66.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.71 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.11 -37.66 85.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.74 -40.57 97.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.333 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -56.61 -49.65 74.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.516 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.93 -35.42 78.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.684 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -63.55 -53.38 52.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.655 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.16 -44.05 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.381 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 79.4 m -58.63 -44.72 90.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.1 p -64.96 -34.81 79.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.45 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 5' ' ' PHE . 96.4 mt . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.801 0.334 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.525 ' CZ ' ' OE1' ' A' ' 72' ' ' GLN . 59.9 m-85 -68.59 135.11 50.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.451 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -73.44 149.5 42.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.554 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 8' ' ' GLN . 11.5 p -60.56 -41.16 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.714 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.509 ' N ' HG13 ' A' ' 7' ' ' VAL . 59.2 tt0 -55.18 -41.64 72.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.728 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.23 -35.39 68.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.793 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 92.1 mt -67.39 -29.42 68.93 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.01 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -52.28 -39.63 60.71 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.933 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.14 -58.12 6.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.831 0.348 . . . . 0.0 111.262 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 88.6 mtm180 -70.05 -36.97 75.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . -69.01 -10.02 55.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.492 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.584 ' NZ ' ' CD1' ' A' ' 17' ' ' PHE . 14.8 tmtt? -58.94 -47.05 86.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.721 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.548 ' O ' ' O ' ' A' ' 15' ' ' LYS . 41.9 t 49.81 118.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.32 0.581 . . . . 0.0 111.07 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.584 ' CD1' ' NZ ' ' A' ' 15' ' ' LYS . 87.6 m-85 -67.81 136.73 54.61 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.79 41.82 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.121 0.486 . . . . 0.0 110.535 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -44.93 159.22 0.27 Allowed Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.913 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.32 151.23 53.73 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.425 2.083 . . . . 0.0 112.083 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.6 pt -66.55 152.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.724 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.55 18.44 60.23 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 41.76 77.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.834 0.35 . . . . 0.0 110.776 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -82.12 -15.61 52.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -73.75 -18.62 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.555 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -61.85 -43.99 97.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.579 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.3 -31.25 78.47 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 32' ' ' LEU . 29.5 mm -70.05 -23.35 25.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-O 120.798 0.332 . . . . 0.0 110.538 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tt -92.66 -42.55 9.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.776 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -58.67 -45.55 89.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.451 ' HA ' HE21 ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.21 -40.81 96.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.154 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 28' ' ' ILE . 3.5 mm? -61.64 -42.57 99.09 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.389 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -65.35 -34.22 77.8 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.043 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 50.9 tp -64.9 -41.92 95.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.014 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -55.98 -27.15 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.352 -178.165 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -79.5 -40.18 30.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.241 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -84.42 -21.98 30.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.617 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -77.4 159.91 29.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -160.88 139.64 10.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.65 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.61 -125.07 9.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 9.6 mpt_? -63.79 -36.44 83.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.803 0.335 . . . . 0.0 110.632 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -62.53 -38.35 89.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.625 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.27 -39.8 89.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.623 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.35 -42.35 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.383 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.31 -40.53 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.99 92.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.533 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.1 t -62.07 -42.77 99.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.27 -46.0 92.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.612 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -67.22 -45.95 75.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.452 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD21 ' CD2' ' A' ' 32' ' ' LEU . 7.5 mt -62.58 -40.74 97.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.723 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -57.6 -43.68 84.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.135 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -64.2 -44.03 93.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.495 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -64.17 -47.75 78.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.699 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.27 -44.95 87.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.403 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -65.02 -43.99 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.08 -38.94 92.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.602 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.32 -40.37 74.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.355 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.92 -44.3 99.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.429 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.52 84.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.95 -41.83 64.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.896 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -135.0 66.22 67.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.523 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.56 -25.14 21.36 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.671 2.247 . . . . 0.0 111.926 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 79.5 p -77.17 -24.27 51.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.432 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.8 t -67.65 141.21 56.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.547 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.88 -17.88 60.69 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 13' ' ' ARG . 47.0 mmm-85 -65.58 -23.95 66.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.59 0.233 . . . . 0.0 110.659 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 57.7 p30 -63.68 -16.78 61.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.49 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 53.1 mt-30 -63.75 -39.58 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.12 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -64.2 -40.78 96.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.866 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -63.08 -24.28 67.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.623 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.525 ' OE1' ' CZ ' ' A' ' 5' ' ' PHE . 56.7 tt0 -66.15 -36.31 82.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 73' ' ' LEU . 11.0 mp -62.3 -40.22 95.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.523 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -58.42 -43.9 88.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.55 -40.47 84.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.13 -54.74 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.45 -46.0 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.459 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.6 m -61.0 -44.36 97.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.6 t -63.43 -40.98 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.08 -50.46 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.593 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.463 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.755 0.312 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.443 ' HB2' HD11 ' A' ' 73' ' ' LEU . 68.5 m-85 -67.62 135.86 53.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.41 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 p -79.36 163.75 24.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.476 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 8' ' ' GLN . 5.2 p -61.72 -46.75 95.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.777 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.504 ' N ' HG13 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -47.48 -49.02 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.329 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.87 -35.62 77.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.017 0.437 . . . . 0.0 110.254 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.27 -35.54 81.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.731 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.75 -41.65 91.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.851 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -61.88 -52.67 63.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -70.03 -38.66 75.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.691 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.22 -9.67 58.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.663 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.523 ' O ' ' O ' ' A' ' 16' ' ' VAL . 38.3 ttpt -57.04 -46.36 82.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.864 HG22 ' H ' ' A' ' 17' ' ' PHE . 11.8 p 42.98 -177.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 123.706 0.629 . . . . 0.0 111.256 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.864 ' H ' HG22 ' A' ' 16' ' ' VAL . 86.7 t80 -70.05 131.96 45.14 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 17' ' ' PHE . . . 70.45 166.55 0.29 Allowed 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.619 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -98.91 114.07 65.13 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.476 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -53.42 146.91 39.55 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.432 2.088 . . . . 0.0 112.497 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -50.67 136.95 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -75.49 -177.99 42.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 75.11 -67.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.009 0.433 . . . . 0.0 110.496 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -73.99 -38.53 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.573 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -74.78 -22.55 58.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -66.17 -31.87 72.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.746 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.56 -18.07 79.37 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.441 ' O ' HD23 ' A' ' 32' ' ' LEU . 31.7 mm -65.56 -42.52 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 C-N-CA 121.331 -0.148 . . . . 0.0 110.962 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -26.72 18.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.889 0.376 . . . . 0.0 110.823 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.39 -35.21 75.22 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.404 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -66.12 -34.92 79.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.608 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.64 ' O ' HG12 ' A' ' 35' ' ' VAL . 4.1 mm? -62.14 -46.68 87.92 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 68.2 t0 -67.98 -35.33 78.17 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.259 0.552 . . . . 0.0 110.475 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' ALA . 39.0 tp -63.39 -39.44 94.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.265 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -52.97 -28.13 13.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.481 -178.709 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -79.38 -44.21 21.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.619 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -84.99 -8.55 58.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.153 0.502 . . . . 0.0 110.199 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -68.52 142.07 55.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.505 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 43' ' ' GLN . 14.4 tmtt? -72.73 158.48 35.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.83 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . . . -33.87 -74.47 0.07 OUTLIER Glycine 0 CA--C 1.532 1.141 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.34 -42.47 91.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.537 -0.39 . . . . 0.0 110.564 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.63 -24.0 67.36 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.673 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.595 ' N ' ' O ' ' A' ' 39' ' ' LYS . 50.8 tt0 -69.14 -32.28 71.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.435 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.03 -43.05 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.333 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.75 77.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.709 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.77 98.12 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.423 ' OG ' HD11 ' A' ' 81' ' ' LEU . 47.6 m -62.17 -46.86 87.06 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.97 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -63.91 -47.27 81.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.622 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -68.15 -41.08 82.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.47 -36.25 79.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.302 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -57.87 -40.65 80.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.223 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -43.3 95.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.7 -47.28 84.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.443 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.3 -44.35 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.431 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.12 -41.78 98.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.631 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.52 -40.04 95.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.532 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CZ ' ' NE2' ' A' ' 61' ' ' HIS . 46.8 t80 -59.06 -40.72 86.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.327 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.47 -43.13 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.302 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.93 86.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.344 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -76.6 -1.71 28.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.517 ' NE2' ' CZ ' ' A' ' 57' ' ' TYR . 32.2 m80 -127.45 63.08 57.54 Favored Pre-proline 0 N--CA 1.466 0.37 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.455 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.7 -20.99 52.3 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.667 2.245 . . . . 0.0 111.836 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -79.05 -14.77 58.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.404 -179.793 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m 69.21 149.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.2 -107.21 0.26 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.52 ' NH1' ' H ' ' A' ' 16' ' ' VAL . 24.8 mmt85 -78.76 -10.67 59.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.837 0.351 . . . . 0.0 110.604 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 46.3 p-10 -64.8 -21.19 66.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.401 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 85.7 mt-30 -65.51 -34.73 78.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.62 -39.12 73.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.23 -37.96 86.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.58 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -59.78 -31.83 70.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.881 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -61.42 -39.51 91.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.756 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 73' ' ' LEU . 4.2 mm? -63.16 -40.85 98.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.985 0.422 . . . . 0.0 110.395 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HB3' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -59.46 -49.99 75.64 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.835 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.89 -39.83 79.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.616 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -64.67 -51.37 62.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.772 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.39 -47.64 91.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.422 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.8 p -62.54 -42.24 99.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 m -63.89 -36.29 83.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.548 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.51 -46.73 80.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.682 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.423 HD11 ' OG ' ' A' ' 47' ' ' SER . 83.6 mt . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.545 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.793 0.33 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.502 ' CE2' ' NE2' ' A' ' 76' ' ' GLN . 70.0 m-85 -59.0 135.09 57.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -73.6 147.17 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.565 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.7 -45.35 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -55.84 -40.47 72.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.412 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -68.42 -38.39 81.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.58 -35.17 79.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -59.32 -40.69 87.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -58.27 -56.34 23.4 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.818 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -69.95 -37.6 75.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.7 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.17 -8.75 57.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.606 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.8 tttt -63.04 -47.49 82.77 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 15' ' ' LYS . 1.2 m 27.69 -101.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 123.534 0.521 . . . . 0.0 110.677 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.611 ' CZ ' ' NZ ' ' A' ' 19' ' ' LYS . 55.0 p90 -99.84 141.58 32.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.247 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.15 128.86 14.64 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.377 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' NZ ' ' CZ ' ' A' ' 17' ' ' PHE . 12.9 mttm -109.61 149.22 39.58 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.72 139.98 30.56 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.195 1.93 . . . . 0.0 112.269 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 22' ' ' GLY . 34.3 pt -79.39 144.45 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.57 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' ILE . . . 49.95 103.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.25 173.22 14.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.578 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.8 t -72.68 -15.54 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.63 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.639 ' O ' HG22 ' A' ' 28' ' ' ILE . 85.6 t80 -68.72 -34.84 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.473 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.37 -23.0 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.489 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.66 -19.59 62.94 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 25' ' ' TYR . 18.9 tt -66.31 -24.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.779 0.324 . . . . 0.0 110.449 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -92.6 -30.45 15.62 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.458 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 46.5 t0 -62.22 -34.86 77.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.04 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 28' ' ' ILE . 11.7 pt20 -63.31 -37.0 85.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -61.11 -43.23 99.2 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.735 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.47 -35.14 79.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.088 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ALA . 35.4 tp -64.56 -37.48 87.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.409 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.8 t -58.01 -28.23 33.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.325 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -80.79 -45.05 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.66 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -84.44 -8.05 59.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.005 0.431 . . . . 0.0 110.421 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -70.44 144.86 51.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.566 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -73.22 161.15 30.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.429 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.2 -59.12 3.09 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.7 mtm-85 -64.28 -46.0 85.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.771 0.319 . . . . 0.0 110.956 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.24 -21.17 66.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.783 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' A' ' 39' ' ' LYS . 51.4 tt0 -68.0 -38.19 82.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.454 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 44' ' ' ILE . 2.0 mp -64.8 -43.3 96.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.003 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.78 -37.14 70.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.527 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -34.96 77.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.282 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.7 m -55.66 -40.11 71.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.685 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -63.31 -41.34 98.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -65.68 -50.83 63.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.409 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.76 -42.32 98.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.802 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.14 -50.28 74.33 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.566 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.73 -45.44 78.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.28 -47.26 85.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.94 -45.19 91.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.445 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.31 -43.49 94.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.035 0.445 . . . . 0.0 110.492 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.93 -40.34 94.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.659 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -55.26 -39.88 70.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.487 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.555 ' HA ' HD21 ' A' ' 67' ' ' ASN . 83.7 mt -62.8 -44.68 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.526 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.1 77.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.643 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.92 -41.18 78.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.787 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.558 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 46.0 m80 -142.32 68.21 21.26 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.26 -19.44 15.3 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.665 2.244 . . . . 0.0 111.913 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.7 m -76.48 -18.06 58.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.702 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.5 m -58.51 -41.68 85.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.696 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.58 -24.25 3.23 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -74.85 -15.03 60.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 61' ' ' HIS . 3.4 m-20 -67.76 -19.9 65.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -51.68 -40.31 59.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.582 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.88 -37.16 75.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.895 0.379 . . . . 0.0 110.296 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.96 -40.56 96.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.425 ' OG1' HD11 ' A' ' 58' ' ' ILE . 25.2 m -57.22 -22.92 44.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.477 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -63.01 -31.84 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.642 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 73' ' ' LEU . 10.4 mp -64.01 -38.73 92.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.65 -53.76 50.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -69.4 -27.47 65.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.636 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.502 ' NE2' ' CE2' ' A' ' 5' ' ' PHE . 50.7 tt0 -62.35 -48.42 79.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.08 -47.23 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.0 p -61.76 -44.91 95.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.485 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -64.77 -43.65 92.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.638 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.23 82.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.627 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 5' ' ' PHE . 92.6 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.727 0.299 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 73' ' ' LEU . 39.5 m-85 -69.12 133.0 47.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.49 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 p -83.33 161.92 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.6 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 8' ' ' GLN . 27.0 m -65.7 -40.49 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.631 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.467 ' N ' HG23 ' A' ' 7' ' ' VAL . 88.8 mt-30 -54.78 -40.98 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.632 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.45 -42.02 88.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.74 -40.65 92.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.74 -41.89 91.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.28 -49.17 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.405 HH12 ' HB1' ' A' ' 69' ' ' ALA . 90.1 mtm180 -72.38 -22.76 61.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.655 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -11.1 60.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.696 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' VAL . 60.8 mttp -63.61 -43.61 96.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LYS . 33.5 m 34.31 -146.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.427 0.455 . . . . 0.0 110.851 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -98.31 148.84 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.622 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.93 -130.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.622 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -150.69 115.63 3.28 Favored Pre-proline 0 N--CA 1.445 -0.723 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.766 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.77 159.86 38.15 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.734 2.289 . . . . 0.0 112.042 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 21' ' ' ILE . 19.3 tt -84.18 131.17 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.686 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.596 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -79.09 -161.91 22.09 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 76.07 -64.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.831 0.348 . . . . 0.0 110.552 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.1 p -72.91 -40.42 65.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.356 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -79.15 -19.59 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.586 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -66.86 -27.9 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.19 87.94 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.15 -23.44 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.457 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.2 mp -92.03 -45.37 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.283 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -61.46 -31.11 71.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.68 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -62.52 -36.68 83.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.87 -43.1 98.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.311 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.12 -42.47 99.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.144 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.48 -43.38 90.42 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.62 -25.47 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -80.93 -37.36 29.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.326 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -82.74 -22.49 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.339 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.3 158.11 35.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' H ' ' HB2' ' A' ' 42' ' ' ASP . 28.2 tptp -159.21 142.27 14.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.63 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.66 -130.87 10.95 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -66.93 -19.86 65.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.419 ' HB2' ' H ' ' A' ' 39' ' ' LYS . 98.0 m-20 -65.38 -35.77 81.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.597 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -66.12 -36.73 83.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.48 -42.9 94.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.71 -39.44 68.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.71 97.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.387 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.6 p -62.88 -34.65 77.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.741 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CE2' ' NZ ' ' A' ' 52' ' ' LYS . 51.0 t80 -61.15 -48.95 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.651 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -70.71 -45.08 65.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.929 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.27 -40.12 92.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.632 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 87.4 m-20 -53.31 -52.0 60.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.584 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.508 ' NZ ' ' CE2' ' A' ' 48' ' ' PHE . 30.8 mtmm -66.07 -45.9 79.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.825 0.345 . . . . 0.0 111.014 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.62 -48.0 82.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -43.84 94.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.38 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.638 ' ND2' ' NZ ' ' A' ' 74' ' ' LYS . 13.7 m120 -62.65 -38.53 90.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.342 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -58.31 -46.59 85.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.401 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.25 -41.41 88.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.639 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.543 HD11 ' OG1' ' A' ' 71' ' ' THR . 96.2 mt -62.82 -44.51 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.333 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.02 93.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.609 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.92 -39.75 63.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 52.6 m-70 -134.17 65.35 68.73 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.586 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.76 -19.81 30.92 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.709 2.272 . . . . 0.0 111.943 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -22.03 28.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.337 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.47 ' CB ' HH21 ' A' ' 66' ' ' ARG . 23.4 m -63.42 144.57 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.401 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.93 -18.91 53.25 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.734 ' HE ' ' H ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -66.76 -37.3 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.678 -0.307 . . . . 0.0 110.743 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 61' ' ' HIS . 51.5 p30 -64.31 -19.09 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.685 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.485 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 99.2 mm-40 -60.09 -42.66 95.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.48 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HB1' HH12 ' A' ' 13' ' ' ARG . . . -76.31 -29.96 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.447 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.0 tp -69.26 -39.05 78.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.09 0.472 . . . . 0.0 110.694 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.543 ' OG1' HD11 ' A' ' 58' ' ' ILE . 24.8 m -64.77 -21.21 66.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.607 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -71.65 -22.8 61.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 5' ' ' PHE . 3.8 mm? -60.81 -48.0 83.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.638 ' NZ ' ' ND2' ' A' ' 55' ' ' ASN . 15.1 ptpt -63.84 -34.69 78.5 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.283 0.364 . . . . 0.0 110.711 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.84 -47.78 79.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.712 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.14 -43.75 90.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 73' ' ' LEU . 70.8 t -60.79 -46.28 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 74' ' ' LYS . 17.0 p -58.64 -40.4 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -63.33 -41.99 98.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.87 96.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.659 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.741 -179.663 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.7 mm . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.835 0.35 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.53 ' CE2' ' NE2' ' A' ' 76' ' ' GLN . 43.3 m-85 -69.83 134.54 48.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.561 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -78.34 150.03 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.93 -46.94 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.62 -40.34 78.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.115 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.74 -47.42 75.32 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.269 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 14' ' ' ALA . 6.2 tp -70.85 -22.37 62.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.665 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.72 -45.94 85.1 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.604 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.93 -44.96 83.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -72.04 -23.22 61.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.48 -13.15 61.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.697 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 16' ' ' VAL . 69.0 mmtt -62.44 -43.56 98.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.701 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.852 HG22 ' H ' ' A' ' 17' ' ' PHE . 12.0 p 45.54 -178.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.988 0.423 . . . . 0.0 110.764 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.852 ' H ' HG22 ' A' ' 16' ' ' VAL . 94.6 m-85 -103.47 120.07 40.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . 58.41 119.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.647 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -152.57 114.91 2.84 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.668 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.97 143.05 41.56 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.737 1.625 . . . . 0.0 112.513 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.8 tt -74.88 137.17 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.328 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -159.68 -26.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 66.3 -6.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.703 0.287 . . . . 0.0 110.64 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.489 ' H ' ' C ' ' A' ' 22' ' ' GLY . 78.0 p -77.5 -17.36 58.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.591 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -77.32 -23.54 50.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -64.98 -32.2 73.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.77 -31.42 78.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.12 -25.44 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.72 0.295 . . . . 0.0 110.621 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.8 mp -91.16 -32.73 15.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.314 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.84 -38.38 88.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.315 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 35' ' ' VAL . 84.4 mt-30 -64.8 -30.02 71.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.11 -46.08 92.07 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.73 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.15 -43.1 92.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.189 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 53.4 tp -63.86 -44.36 93.33 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.532 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 31' ' ' GLN . 37.2 t -55.7 -23.46 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.385 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -79.0 -51.24 9.87 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.451 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -90.23 6.89 40.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.603 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -69.54 145.82 52.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.288 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -71.88 149.86 44.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.994 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' LYS . . . -34.23 -69.66 0.18 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.492 ' H ' ' CE ' ' A' ' 39' ' ' LYS . 60.8 ttm-85 -58.19 -42.79 86.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.449 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -64.32 -29.16 70.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 39' ' ' LYS . 59.6 tt0 -67.36 -37.8 83.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.12 -44.49 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.84 85.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.938 0.399 . . . . 0.0 110.643 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.8 85.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.601 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.0 p -61.8 -42.57 99.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.832 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -64.18 -36.01 82.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -64.14 -51.62 63.01 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.361 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.48 -37.48 87.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.047 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -50.91 -49.11 60.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -43.13 94.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.385 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -62.59 -49.22 76.11 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.782 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.4 -45.29 79.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.833 0.349 . . . . 0.0 110.441 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -62.44 -44.58 96.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.573 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 65.8 t0 -65.59 -38.18 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.595 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CZ ' ' CE1' ' A' ' 61' ' ' HIS . 56.0 t80 -59.38 -41.84 90.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.376 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.53 -43.53 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.1 92.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.443 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.83 -4.32 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.7 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CE1' ' CZ ' ' A' ' 57' ' ' TYR . 49.9 m80 -125.78 66.58 57.51 Favored Pre-proline 0 N--CA 1.467 0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.429 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.73 -15.57 37.25 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.561 2.174 . . . . 0.0 111.978 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 64' ' ' SER . 53.1 p -86.76 -4.77 59.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.646 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 63' ' ' THR . 11.3 t 58.43 148.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.655 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.888 ' N ' HE22 ' A' ' 68' ' ' GLN . . . 169.37 -101.11 0.17 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -82.83 -10.93 58.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.577 ' OD1' ' NE2' ' A' ' 68' ' ' GLN . 25.8 p-10 -66.61 -20.33 65.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.888 HE22 ' N ' ' A' ' 65' ' ' GLY . 3.8 mp0 -64.19 -34.96 79.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.174 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.61 -40.6 69.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.763 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 70' ' ' LEU . 9.7 mp -64.82 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.511 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 m -57.2 -35.34 69.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.599 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -61.6 -38.2 86.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.783 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.19 -43.73 98.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 78' ' ' THR . 88.9 tttt -59.77 -44.46 93.86 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.444 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.97 -38.85 89.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.859 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.53 ' NE2' ' CE2' ' A' ' 5' ' ' PHE . 86.3 mt-30 -70.39 -49.05 53.05 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.243 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.43 -50.05 81.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.333 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 74' ' ' LYS . 8.1 t -62.72 -39.68 94.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 78' ' ' THR . 38.2 m -61.72 -35.9 79.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.567 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.28 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.645 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.0 mt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.486 179.878 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 88.7 mt . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 120.679 0.276 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -64.99 132.81 50.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 110.39 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -67.01 144.15 56.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.442 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 8' ' ' GLN . 9.1 p -64.28 -37.59 80.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' N ' HG13 ' A' ' 7' ' ' VAL . 56.1 tt0 -58.08 -45.51 87.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.603 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.39 -29.04 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -64.02 -37.14 86.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.485 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HZ2' HG22 ' A' ' 7' ' ' VAL . 64.2 mttp -59.1 -42.54 90.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -36.09 72.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.83 0.348 . . . . 0.0 110.475 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.482 ' O ' HG12 ' A' ' 16' ' ' VAL . 17.1 tpt180 -73.88 -39.38 63.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.655 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.15 -19.29 62.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.998 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -61.95 -8.43 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 13' ' ' ARG . 11.7 p -75.41 -33.84 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 90.4 t80 -113.69 140.47 48.21 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.428 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.532 ' O ' ' CD2' ' A' ' 17' ' ' PHE . . . -58.67 142.58 49.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -72.1 146.43 89.87 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.57 159.52 53.23 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.527 2.152 . . . . 0.0 112.177 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.12 155.12 7.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.447 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.01 -115.15 4.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.26 49.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.509 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -80.51 -14.82 57.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -73.18 -17.52 61.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.614 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.62 -37.06 80.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.591 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.5 -35.18 90.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.487 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.1 mm -69.52 -23.9 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.816 0.341 . . . . 0.0 110.72 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -93.28 -42.4 9.35 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.71 -43.6 98.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.678 ' N ' ' NE2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -63.96 -46.93 82.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 -179.359 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 28' ' ' ILE . 3.8 mm? -62.33 -40.78 97.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.055 0.455 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.89 -43.93 86.8 Favored 'General case' 0 C--N 1.311 -1.065 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.218 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' ALA . 56.4 tp -69.15 -49.75 54.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.251 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.71 -25.88 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.56 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -78.94 -43.53 24.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.394 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -85.14 -22.35 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.474 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -75.64 163.08 27.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.577 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.94 168.42 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.591 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.66 -145.9 39.4 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -68.49 -22.2 64.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 0.0 110.638 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 67.0 t0 -63.84 -35.07 79.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.384 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.18 -29.74 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.539 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.69 -42.91 96.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.312 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.12 82.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.627 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.04 93.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.492 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.8 p -62.4 -39.27 92.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.708 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.59 -46.01 91.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.465 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -66.3 -42.87 87.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.385 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 31' ' ' GLN . 38.4 mt -62.25 -39.87 94.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.613 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -58.47 -40.84 83.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.289 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -64.1 -44.95 90.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -65.14 -47.87 75.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.633 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.36 -45.69 85.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.432 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -64.45 -45.62 86.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.701 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -63.39 -39.73 95.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.636 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.48 -41.64 81.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.49 -43.99 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.435 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.69 80.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.535 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -71.62 -41.14 69.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -137.13 65.86 52.05 Favored Pre-proline 0 N--CA 1.466 0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.41 -22.88 15.74 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.726 2.284 . . . . 0.0 111.94 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.7 p -76.03 -24.76 55.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.5 t -70.21 139.71 52.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.35 -20.38 64.57 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.49 ' H ' ' NE ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -63.79 -34.96 79.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.712 0.292 . . . . 0.0 110.588 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 52.1 p-10 -58.28 -17.18 17.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.47 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.437 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 99.3 mm-40 -64.19 -40.7 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.82 -37.3 70.36 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.999 0.428 . . . . 0.0 110.414 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.65 -38.18 90.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.9 m -62.74 -22.71 66.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.677 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.04 -34.19 75.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.682 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.87 -39.14 93.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.741 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.96 -54.76 42.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.676 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.09 -33.98 76.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.663 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.49 -54.07 42.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.3 t -61.96 -44.9 99.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 m -59.35 -44.08 92.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.695 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.7 t -62.72 -39.15 93.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.03 -38.79 76.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.71 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.658 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.665 ' O ' HG21 ' A' ' 35' ' ' VAL . 1.3 mp . . . . . 0 C--O 1.224 -0.279 0 CA-C-O 121.065 0.46 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.539 ' CD2' ' N ' ' A' ' 6' ' ' THR . 28.6 t80 -57.95 167.69 1.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.414 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.539 ' N ' ' CD2' ' A' ' 5' ' ' PHE . 10.1 m -61.33 158.31 14.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.627 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' LYS . 97.2 t -66.36 -22.06 29.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.739 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -54.26 -42.18 69.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -64.21 -48.35 76.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.18 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 10' ' ' LEU . 40.9 tp -71.38 -28.46 64.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.929 0.395 . . . . 0.0 110.624 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 7' ' ' VAL . 15.8 ttmm -59.63 -39.48 84.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.619 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.05 -44.76 95.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.58 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -68.3 -33.78 74.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.78 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.61 -8.52 52.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.568 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -51.45 -36.06 42.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 m -78.61 148.22 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.427 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.549 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 53.1 p90 -70.82 120.44 16.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.669 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 17' ' ' PHE . . . 175.57 66.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.133 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -96.52 114.71 64.91 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.444 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.22 145.14 45.15 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.562 2.175 . . . . 0.0 112.021 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.0 mm -70.51 151.52 9.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.97 12.78 67.71 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 41.09 42.16 1.53 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.832 0.349 . . . . 0.0 110.782 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.5 m -79.86 -16.56 55.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.563 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -78.01 -20.05 53.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.69 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.15 -41.4 99.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.562 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.75 -20.6 76.14 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.46 ' O ' HD13 ' A' ' 32' ' ' LEU . 4.3 mm -70.91 -27.15 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.708 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 mp -92.61 -19.41 21.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.44 -40.1 89.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.393 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -66.71 -35.9 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.712 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 28' ' ' ILE . 9.0 mp -61.89 -43.86 97.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.699 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.62 -31.56 72.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.966 0.412 . . . . 0.0 110.616 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 37' ' ' GLN . 76.4 mt -71.5 -21.97 61.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.665 HG21 ' O ' ' A' ' 4' ' ' ILE . 78.6 t -46.73 -23.84 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.553 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -87.46 -34.45 18.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.594 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' LEU . 87.6 mt-30 -82.08 -34.13 29.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.751 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.84 150.27 42.84 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 110.639 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.75 156.1 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.64 -129.14 48.2 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.38 -40.81 92.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.772 0.32 . . . . 0.0 110.51 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.62 -36.01 75.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.463 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.74 -51.26 51.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.715 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.38 -42.77 96.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.206 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.91 -38.63 57.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.601 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.88 -35.57 80.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.382 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.547 ' OG ' HG11 ' A' ' 77' ' ' VAL . 27.3 t -62.65 -55.88 22.9 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.047 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -63.74 -29.26 70.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.758 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.15 -61.73 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.744 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.87 -31.81 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -42.06 -59.83 1.62 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -66.44 -36.05 81.82 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.139 179.075 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -61.13 -44.64 97.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.72 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.21 -47.5 87.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -65.16 -44.63 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 0.0 110.73 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.99 -40.96 91.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.726 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -58.97 -47.59 84.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.483 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.458 ' CD1' ' OG1' ' A' ' 71' ' ' THR . 97.8 mt -63.38 -42.21 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.347 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.79 -26.95 58.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.45 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -71.16 -41.08 70.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.523 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -139.27 66.67 37.99 Favored Pre-proline 0 N--CA 1.464 0.253 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.532 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.02 -11.63 25.5 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.885 2.39 . . . . 0.0 112.026 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -25.9 64.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.311 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.6 t -76.96 129.04 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.476 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.76 -35.14 79.37 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -63.86 -36.42 83.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.603 0.239 . . . . 0.0 110.639 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -60.72 -27.25 67.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.331 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -68.73 -23.27 64.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.012 0.434 . . . . 0.0 110.493 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.13 -24.15 60.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.756 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.8 mm? -63.06 -41.82 99.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.652 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.458 ' OG1' ' CD1' ' A' ' 58' ' ' ILE . 26.3 m -50.52 -22.07 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.41 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -62.2 -44.01 97.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.738 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 77' ' ' VAL . 10.9 mp -62.0 -40.06 94.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.386 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -55.01 -54.91 37.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.767 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 78' ' ' THR . 14.8 pt-20 -67.52 -25.19 65.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.958 0.408 . . . . 0.0 110.68 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -66.61 -32.56 73.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 73' ' ' LEU . 11.9 t -58.53 -45.54 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.818 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 75' ' ' GLU . 24.3 p -53.55 -39.77 65.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.368 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 m -64.94 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.161 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.05 71.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.3 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.704 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 5' ' ' PHE . 96.6 mt . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 120.915 0.388 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.525 ' N ' HG22 ' A' ' 4' ' ' ILE . 18.4 m-85 -96.11 117.0 29.85 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.36 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.1 p -80.13 164.41 23.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.423 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.28 -29.0 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.64 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -57.21 -39.21 74.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.68 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' OE1' ' CD2' ' A' ' 5' ' ' PHE . 97.1 mt-10 -68.19 -40.65 82.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.603 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.1 mm? -64.87 -41.95 95.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.19 -43.74 98.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.4 -42.01 93.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -69.92 -35.09 74.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.703 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 16' ' ' VAL . . . -68.05 -10.33 52.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.438 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -51.74 -13.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.501 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' A' ' 14' ' ' ALA . 83.4 t -68.29 -42.4 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.392 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -126.69 157.17 39.74 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.453 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.0 122.21 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -48.49 148.3 3.55 Favored Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.937 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.59 146.04 78.16 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.66 2.24 . . . . 0.0 111.951 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' ' 23' ' ' ALA . 96.0 mt -78.37 154.92 5.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.603 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' N ' HG22 ' A' ' 21' ' ' ILE . . . -73.07 32.3 0.77 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 21' ' ' ILE . . . -74.82 -158.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.486 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.0 p -75.09 -18.64 60.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -76.16 -21.64 56.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -64.51 -17.19 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.438 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.57 -18.97 2.8 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mm -66.92 -41.86 88.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.645 0.259 . . . . 0.0 110.58 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.9 mp -89.24 -39.16 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.374 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.98 -47.4 80.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.628 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -61.12 -25.53 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.304 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.0 -42.72 98.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.183 0.516 . . . . 0.0 110.164 -179.742 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -62.87 -35.67 80.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.352 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.583 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.1 mp -63.65 -36.99 85.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.3 t -54.19 -24.4 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.583 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -83.76 -51.4 7.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.818 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -84.99 -4.01 58.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.028 0.442 . . . . 0.0 110.598 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -68.94 146.37 52.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.331 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 43' ' ' GLN . 2.7 mptp? -74.55 166.54 23.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.539 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.97 -61.18 4.06 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.63 -40.8 92.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.695 0.283 . . . . 0.0 110.526 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -67.23 -23.34 65.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.776 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 39' ' ' LYS . 57.3 tt0 -67.12 -36.26 81.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.315 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 44' ' ' ILE . 1.9 mp -66.0 -44.03 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.243 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.96 -41.19 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.401 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.38 96.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -63.85 -41.86 97.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.642 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.63 -43.37 93.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.39 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -66.9 -45.78 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.332 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.59 -37.48 86.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.632 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -55.85 -46.23 78.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.394 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.83 -46.6 81.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.045 0.45 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.91 -44.36 96.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.626 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.51 -45.14 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.636 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -63.66 -41.6 98.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.62 -45.43 90.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.41 -45.98 90.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.464 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -45.38 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.414 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.3 -32.8 74.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 45.6 tp10 -69.61 -41.58 75.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.499 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.41 ' ND1' ' O ' ' A' ' 60' ' ' GLU . 61.0 m-70 -142.35 67.63 20.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.696 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.33 -18.02 16.29 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.771 2.314 . . . . 0.0 111.979 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.2 p -85.56 -16.95 37.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.436 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.7 p -54.7 -102.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.744 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.07 -38.13 0.42 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -64.98 -35.69 81.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.733 0.302 . . . . 0.0 110.472 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 70' ' ' LEU . 92.0 m-20 -61.6 -30.97 71.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.459 ' O ' HG22 ' A' ' 71' ' ' THR . 98.4 mm-40 -46.89 -20.26 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.5 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' ASN . . . -84.37 -30.58 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.387 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' ASN . 97.5 mt -66.74 -39.3 87.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.784 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 68' ' ' GLN . 1.2 t -58.38 -28.71 65.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.637 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -61.45 -38.2 86.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.148 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 77' ' ' VAL . 15.2 mt -62.69 -40.14 96.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 78' ' ' THR . 88.1 tttt -56.83 -51.57 68.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.036 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.05 -36.01 77.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.993 0.425 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -66.75 -59.94 3.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 78' ' ' THR . 9.5 p -57.67 -43.45 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 74' ' ' LYS . 23.8 p -61.33 -40.51 94.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.7 m -62.01 -40.14 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.4 83.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 -179.608 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.771 0.32 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.485 ' CD1' ' NH2' ' A' ' 13' ' ' ARG . 78.5 m-85 -70.32 134.49 47.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.391 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 p -80.64 158.15 25.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.461 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 8' ' ' GLN . 5.3 p -63.56 -45.53 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.647 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.49 ' N ' HG13 ' A' ' 7' ' ' VAL . 5.3 tm0? -58.05 -46.3 85.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.783 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.05 -35.74 78.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 29' ' ' LEU . 45.7 tp -63.97 -38.75 92.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.498 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -57.49 -35.91 70.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -58.43 -56.73 18.39 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.562 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 90.2 mtm180 -70.69 -38.29 73.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.639 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.46 -8.74 57.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.579 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' O ' ' A' ' 16' ' ' VAL . 65.8 tttm -55.15 -47.26 75.38 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.901 -178.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.877 HG22 ' H ' ' A' ' 17' ' ' PHE . 11.2 p 43.08 -177.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.048 0.452 . . . . 0.0 110.835 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.877 ' H ' HG22 ' A' ' 16' ' ' VAL . 91.1 m-85 -79.07 142.93 36.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.99 137.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -82.17 145.85 53.53 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.875 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.36 143.22 57.35 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 122.348 2.032 . . . . 0.0 111.912 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.755 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -90.88 144.31 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.356 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.19 143.86 4.62 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.48 7.75 6.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.729 0.299 . . . . 0.0 110.688 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.6 p -75.8 -14.83 60.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -69.06 -34.59 75.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -62.38 -17.12 58.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.777 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.04 -39.08 40.27 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.41 ' O ' HD23 ' A' ' 32' ' ' LEU . 96.7 mt -71.06 -24.29 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.654 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' CD2' HD23 ' A' ' 10' ' ' LEU . 45.3 mt -92.21 -29.22 16.56 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.585 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.1 -36.0 80.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.671 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.67 -32.27 73.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.014 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.0 mm? -62.32 -38.69 90.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.24 0.543 . . . . 0.0 109.826 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' OD1' ' OE1' ' A' ' 37' ' ' GLN . 63.8 t0 -63.02 -44.02 97.12 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.067 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.0 mp -69.48 -49.32 55.88 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.852 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 p -59.49 -26.36 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.299 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -80.51 -45.53 17.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.986 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' OE1' ' OD1' ' A' ' 33' ' ' ASP . 87.4 mt-30 -85.71 -14.81 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.662 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -75.51 162.05 28.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.701 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -161.62 140.32 9.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.473 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.29 -124.57 11.21 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 35.6 ptt180 -60.26 -37.32 80.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 111.03 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 91.0 m-20 -64.47 -35.78 82.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.473 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.82 -39.88 87.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.642 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -42.78 96.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.498 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.8 64.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.79 97.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.093 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 m -62.46 -46.36 88.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.007 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -62.95 -47.24 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -67.45 -46.02 74.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.79 -40.93 89.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -55.25 -53.65 53.37 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.394 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -36.93 80.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 0.0 110.215 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.23 -45.66 92.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.301 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.7 mt -67.28 -44.68 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.396 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -62.2 -41.0 97.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.582 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.6 -41.25 98.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.563 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -59.31 -46.38 88.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.44 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.9 -42.9 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.251 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.8 -34.41 71.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.496 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.55 -39.41 70.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.825 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -134.85 67.65 70.58 Favored Pre-proline 0 N--CA 1.467 0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.14 -12.91 19.28 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.863 2.375 . . . . 0.0 112.051 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -90.83 -9.47 46.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.501 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.425 ' OG ' ' OD1' ' A' ' 67' ' ' ASN . 56.4 p -54.82 -104.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.486 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.95 -45.05 0.62 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.507 ' NH2' ' O ' ' A' ' 13' ' ' ARG . 7.9 tpt180 -67.95 -16.73 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.59 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.622 HD22 ' N ' ' A' ' 67' ' ' ASN . 1.2 m120 -61.93 -24.2 66.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.405 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -48.53 -22.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.15 -25.78 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.429 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' ASN . 90.7 mt -68.86 -41.13 78.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -62.24 -20.71 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.05 -38.71 92.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.668 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.15 -41.13 99.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.25 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -57.13 -49.52 75.66 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.22 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.49 -34.6 77.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.594 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -63.69 -55.04 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.69 -47.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.443 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 m -60.87 -45.38 94.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.738 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.8 t -64.45 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.525 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.7 -48.8 72.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.656 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.7 mt . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.503 179.785 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.811 0.338 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -64.6 135.73 56.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.26 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 m -77.81 143.66 37.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.316 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 8' ' ' GLN . 7.7 p -64.21 -47.42 90.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.975 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.563 ' N ' HG13 ' A' ' 7' ' ' VAL . 41.4 mm-40 -55.94 -31.56 63.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.737 0.303 . . . . 0.0 110.753 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -68.46 -61.36 1.87 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.432 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.73 -37.84 79.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 7' ' ' VAL . 63.9 tttp -58.22 -48.82 79.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.802 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.51 -43.77 89.04 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.954 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -70.03 -40.72 75.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.585 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.46 81.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.22 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 17' ' ' PHE . 34.4 mmtm -63.3 -39.97 96.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.4 t 55.94 -77.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.452 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.568 ' N ' ' O ' ' A' ' 15' ' ' LYS . 80.0 t80 -71.77 170.54 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.56 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.524 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -49.03 140.52 9.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.415 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.496 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -67.02 121.01 76.2 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.955 -178.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.63 151.26 36.58 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.997 1.798 . . . . 0.0 112.214 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 21' ' ' ILE . 19.4 tt -91.68 127.68 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.265 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -166.26 -32.74 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 76.46 -29.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.467 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 22' ' ' GLY . 70.5 p -73.52 -25.48 60.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.683 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.411 ' O ' HG22 ' A' ' 28' ' ' ILE . 98.2 m-85 -75.8 -22.07 56.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.638 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -65.2 -20.38 66.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.81 -22.09 11.26 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 25' ' ' TYR . 20.4 tt -68.22 -24.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -90.68 -28.47 18.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.575 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -59.16 -47.88 83.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.458 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.47 ' NE2' ' CD ' ' A' ' 49' ' ' GLU . 8.2 tp-100 -66.68 -46.56 75.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.8 -43.18 99.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.513 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 54.5 t0 -62.69 -36.79 84.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.346 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.6 tp -62.83 -37.65 87.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.553 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.26 -30.02 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.264 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -78.26 -41.83 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -84.05 -19.8 33.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.613 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -78.81 164.89 24.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -163.09 139.07 6.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.58 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.75 -122.28 13.67 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -61.76 -40.69 96.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.929 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 65.1 t0 -62.93 -37.08 85.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.552 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -66.14 -41.05 90.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 0.0 110.486 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.11 -42.71 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.627 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.62 -41.84 64.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.52 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.94 92.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.951 0.405 . . . . 0.0 110.273 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.0 t -62.16 -44.24 97.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.96 -46.56 87.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CD ' ' NE2' ' A' ' 31' ' ' GLN . 80.7 tt0 -67.42 -40.52 85.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.872 0.367 . . . . 0.0 110.503 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.88 -35.69 79.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.351 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -57.28 -45.95 83.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.654 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -66.01 -40.32 91.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.124 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.57 -51.01 71.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.999 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 98.0 mt -68.32 -44.56 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.96 0.409 . . . . 0.0 110.303 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -62.19 -44.52 96.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.16 -41.09 97.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.46 ' CD2' HD22 ' A' ' 70' ' ' LEU . 75.7 t80 -59.49 -41.98 91.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.343 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.53 -43.66 98.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.348 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 -27.42 67.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.492 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -72.04 -40.46 68.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -137.37 65.54 49.53 Favored Pre-proline 0 N--CA 1.468 0.449 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.604 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.86 -15.74 26.4 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.702 2.268 . . . . 0.0 111.842 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.4 t -80.94 -25.07 37.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.8 p -80.79 151.17 28.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.396 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.89 -12.36 52.95 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.5 tpt85 -61.88 -36.31 80.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.348 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.696 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -60.65 -34.78 74.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.555 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -44.54 -23.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.22 -47.25 44.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.6 mp -64.53 -38.69 91.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.236 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.3 m -52.43 -42.43 64.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.1 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' O ' ' OE2' ' A' ' 75' ' ' GLU . 94.2 mm-40 -62.68 -31.17 72.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.366 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.568 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -64.94 -39.38 93.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.059 0.456 . . . . 0.0 109.877 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.57 -56.23 23.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.497 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 72' ' ' GLN . 2.9 pp20? -66.51 -24.75 66.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.642 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -63.19 -51.11 67.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.93 -46.38 96.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.832 0.349 . . . . 0.0 110.505 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.7 p -62.03 -33.48 74.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.656 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.4 t -62.62 -43.92 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.505 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.59 85.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.807 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 120.739 0.304 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -69.2 132.18 46.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 7' ' ' VAL . 25.1 m -83.4 160.62 21.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.561 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.672 HG13 HD22 ' A' ' 29' ' ' LEU . 72.3 t -64.07 -43.33 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.621 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -54.95 -41.23 70.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.58 -33.35 73.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.918 0.39 . . . . 0.0 110.76 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.17 -18.11 64.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.871 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -54.97 -39.39 68.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.379 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -64.23 -42.07 96.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.374 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -70.18 -35.73 74.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.477 ' C ' ' H ' ' A' ' 16' ' ' VAL . . . -69.89 -10.56 58.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.551 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -51.12 -10.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.397 . . . . 0.0 110.325 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 14' ' ' ALA . 80.1 t -79.78 133.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.379 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -90.62 117.78 29.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.458 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 178.35 65.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.775 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' HZ2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -78.81 115.98 56.26 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.99 -179.627 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -75.26 163.95 33.8 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.326 2.017 . . . . 0.0 112.408 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 mm -60.37 144.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.05 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.38 -129.56 9.57 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.72 48.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.601 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.3 m -79.84 -15.71 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.629 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -70.55 -39.55 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.51 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -63.61 -36.66 84.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.53 ' O ' ' NE2' ' A' ' 31' ' ' GLN . . . -59.61 -28.64 65.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.8 mt -68.52 -24.01 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 110.483 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.672 HD22 HG13 ' A' ' 7' ' ' VAL . 88.1 mt -90.21 -40.57 12.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.561 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.35 -44.36 97.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -64.59 -34.92 79.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.742 -179.642 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.543 ' O ' HG12 ' A' ' 35' ' ' VAL . 19.8 mt -60.16 -32.9 71.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.087 0.47 . . . . 0.0 109.868 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -71.98 -48.65 43.42 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.805 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.9 mp -66.01 -42.24 89.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.761 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 32' ' ' LEU . 1.3 p -53.01 -25.69 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.929 0.395 . . . . 0.0 110.151 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -80.73 -43.93 19.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.38 -14.19 50.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -76.4 163.19 27.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -165.03 140.47 5.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.765 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.19 -125.49 7.2 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.14 -36.55 82.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.768 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.84 -39.78 95.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 2.7 mm-40 -66.51 -44.07 83.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.38 -43.55 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.464 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' OE1' ' A' ' 49' ' ' GLU . . . -58.75 -41.8 87.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.709 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.88 97.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.6 p -62.0 -31.28 71.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.686 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.79 -44.58 93.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.645 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 45' ' ' ALA . 5.6 mp0 -66.32 -53.09 40.44 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.705 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 50' ' ' LEU . 4.0 mm? -61.8 -42.38 98.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.858 0.361 . . . . 0.0 110.709 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.18 -45.8 93.14 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.424 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -67.37 -47.5 70.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.625 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.64 -47.41 83.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.637 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.74 -45.02 85.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.549 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.11 -45.88 89.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.995 0.426 . . . . 0.0 110.643 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -66.31 -38.22 87.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -58.15 -43.39 87.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.387 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.08 -44.62 99.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.447 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.9 92.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -71.11 -40.63 71.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -136.86 68.31 57.93 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.656 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.1 -14.89 20.79 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.642 2.228 . . . . 0.0 111.951 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.1 p -98.77 2.92 47.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.655 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.6 t -61.37 -43.9 98.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' A' ' 68' ' ' GLN . . . 88.62 -29.12 5.93 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -79.42 -18.15 52.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 49.0 p30 -63.24 -16.86 61.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.701 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.51 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 8.7 mp0 -55.63 -23.03 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.054 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.05 -43.43 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.845 0.355 . . . . 0.0 110.42 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.6 mp -64.35 -42.8 96.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 68' ' ' GLN . 1.7 t -55.18 -28.61 54.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.328 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -64.03 -40.56 96.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.359 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.03 -42.14 97.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.646 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -57.15 -53.71 55.07 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.07 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -67.65 -34.24 76.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.668 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -52.44 64.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.779 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.27 -49.2 85.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.52 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.1 p -62.65 -43.13 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.734 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.1 p -64.91 -37.89 89.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.738 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.34 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.647 179.659 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.46 0.052 0 CA-C-O 120.827 0.346 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -70.06 123.72 22.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.427 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 p -83.29 165.69 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.626 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.0 t -62.11 -47.08 94.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.694 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -56.91 -41.34 77.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -65.02 -49.13 71.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.617 HD23 HD11 ' A' ' 29' ' ' LEU . 4.5 tp -70.22 -20.3 63.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -58.34 -44.24 88.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.465 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.03 -46.34 84.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.644 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 16' ' ' VAL . 92.7 mtt-85 -70.31 -37.34 74.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.713 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.88 -11.94 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.635 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' VAL . 64.4 tttp -64.32 -45.31 88.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.68 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LYS . 35.0 m 34.1 -143.48 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.417 0.448 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -145.75 156.25 43.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.928 0.394 . . . . 0.0 110.674 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.19 58.6 5.3 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.352 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.67 112.68 65.36 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.432 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.98 142.21 65.49 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.439 2.093 . . . . 0.0 112.017 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.5 pt -84.64 145.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.619 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.47 -128.36 0.94 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.38 -19.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.594 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.8 p -79.75 -15.73 56.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -70.92 -44.61 65.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.638 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -66.66 -29.33 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.33 -33.7 85.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.409 ' O ' HD13 ' A' ' 32' ' ' LEU . 97.0 mt -70.13 -23.89 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.617 HD11 HD23 ' A' ' 10' ' ' LEU . 4.0 mm? -91.96 -38.51 12.22 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.546 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.19 -26.57 67.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -67.49 -35.09 78.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.631 ' O ' HG12 ' A' ' 35' ' ' VAL . 9.2 mp -61.28 -44.23 97.58 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.426 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.98 -38.63 91.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.985 0.421 . . . . 0.0 110.629 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.45 -18.98 62.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.776 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 32' ' ' LEU . 1.4 p -55.53 -27.54 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.522 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -85.48 -34.2 21.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.215 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -82.0 -25.29 34.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.63 140.03 49.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.47 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.518 ' HG2' ' H ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -77.66 -179.93 6.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.55 -25.21 34.3 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -83.96 -60.59 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.751 0.31 . . . . 0.0 110.851 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.518 ' H ' ' HG2' ' A' ' 39' ' ' LYS . 38.8 t0 -64.39 -33.25 75.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 58.1 tt0 -61.91 -44.31 97.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.81 -43.66 93.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.465 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.87 -29.12 68.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.67 98.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.343 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.4 t -64.65 -43.47 93.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -61.85 -39.0 90.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.415 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.83 -52.96 57.78 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.724 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.5 mp -68.98 -21.57 64.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.018 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -50.3 -57.23 8.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.263 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -66.41 -40.17 89.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.009 -179.449 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.35 -46.59 88.0 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.3 mt -67.03 -46.04 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -63.68 -40.95 98.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.998 0.428 . . . . 0.0 110.799 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.89 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.389 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -48.93 79.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 58' ' ' ILE . 3.5 mp -65.26 -43.86 95.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.492 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.88 99.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -73.91 -38.26 64.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -134.56 66.97 71.14 Favored Pre-proline 0 N--CA 1.463 0.209 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.719 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ILE . 54.0 Cg_endo -72.73 -22.97 19.87 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.671 2.248 . . . . 0.0 112.014 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.0 m -69.74 -24.14 63.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.452 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -77.83 107.14 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.604 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.45 -33.83 88.28 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -59.61 -35.11 73.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.351 . . . . 0.0 110.6 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 69' ' ' ALA . 1.5 t-20 -60.99 -38.75 87.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.451 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -45.64 -20.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.479 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' ASN . . . -69.73 -33.09 71.99 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.46 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.8 mm? -64.36 -35.62 81.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.574 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.8 m -61.26 -28.41 69.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.759 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.19 -31.43 71.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.599 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 mt -61.17 -41.49 96.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -59.17 -43.69 92.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.344 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.84 -42.58 85.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.586 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -63.81 -54.8 29.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.608 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.48 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.433 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.5 m -61.19 -46.84 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.5 m -63.5 -37.85 88.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.63 84.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 -179.833 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.5 mm . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.88 0.371 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -61.13 138.27 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.32 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 7' ' ' VAL . 24.1 m -79.62 158.38 27.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.616 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.459 ' N ' HG22 ' A' ' 6' ' ' THR . 79.8 t -64.05 -42.81 96.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.797 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -45.72 -35.82 4.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.703 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.43 -40.46 85.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.0 mm? -66.83 -36.99 83.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.744 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -59.16 -40.54 85.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.541 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.34 -44.87 93.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.418 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 16' ' ' VAL . 33.8 mmt180 -68.99 -35.96 77.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.68 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.2 -8.93 56.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.578 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -54.13 -31.01 51.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.472 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 13' ' ' ARG . 11.6 m -78.02 135.93 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -71.73 141.49 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.07 -73.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -88.98 157.87 47.9 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.764 -179.647 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -50.41 144.5 24.1 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.214 1.943 . . . . 0.0 112.123 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.3 mm -76.05 130.84 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.465 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 24' ' ' SER . . . 82.1 179.45 52.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 61.29 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.494 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 22' ' ' GLY . 37.5 m -75.65 -33.04 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -69.23 -44.97 70.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 110.48 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -70.72 -37.09 73.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.03 -49.46 40.85 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 24' ' ' SER . 3.6 tp -69.49 -25.07 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.172 0.511 . . . . 0.0 110.671 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tt -89.65 -45.94 8.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.912 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 67.9 t0 -63.46 -37.77 88.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.756 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.02 -35.56 73.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.632 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.43 -39.3 90.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.85 0.357 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.15 -40.37 93.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.899 0.38 . . . . 0.0 110.208 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 34' ' ' LEU . 4.2 mm? -64.65 -38.13 89.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.756 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.9 t -54.9 -22.6 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -81.46 -46.97 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.796 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -83.13 -21.25 33.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.702 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -74.84 141.38 44.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -142.74 145.17 33.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.143 0.496 . . . . 0.0 110.663 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.37 -126.77 19.77 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -42.71 93.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.194 0.521 . . . . 0.0 110.618 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -56.36 -44.24 79.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.408 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -67.13 -39.56 86.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.374 . . . . 0.0 110.588 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.07 -42.95 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.503 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.47 -42.34 70.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.02 93.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.183 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -63.22 -44.87 94.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.78 -44.23 97.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -65.92 -51.72 56.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.04 -35.1 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.537 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 29.5 t30 -51.87 -42.06 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -63.47 -45.12 92.24 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.791 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 53' ' ' LYS . 10.9 mptt -64.64 -44.68 89.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.564 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.47 -45.85 88.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.451 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.537 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 62.6 m-20 -63.43 -42.75 98.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.462 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 66.4 t0 -64.86 -38.38 90.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.582 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD2' HD12 ' A' ' 70' ' ' LEU . 41.7 t80 -56.99 -38.24 72.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.345 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.95 -43.82 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.331 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.38 75.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.87 -14.37 62.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.503 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.524 ' CD2' ' OG1' ' A' ' 63' ' ' THR . 8.5 t-160 -135.63 71.33 65.2 Favored Pre-proline 0 N--CA 1.464 0.226 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.324 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -53.61 -37.05 82.96 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.786 2.324 . . . . 0.0 112.184 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.524 ' OG1' ' CD2' ' A' ' 61' ' ' HIS . 34.0 p -69.68 -15.71 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.481 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m 68.48 -177.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 135.7 -80.79 0.3 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.9 mmt-85 -79.74 -10.76 59.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.799 0.333 . . . . 0.0 110.674 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' ALA . 4.5 m120 -62.56 -38.65 90.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -44.35 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.624 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ASN . . . -82.36 -61.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.646 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 57' ' ' TYR . 66.4 mt -65.26 -41.61 94.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 84.4 m -59.67 -44.82 93.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.13 -27.53 69.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.711 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 73' ' ' LEU . 1.3 tt -61.97 -42.38 99.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.019 0.438 . . . . 0.0 110.142 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.41 -47.32 86.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.625 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.05 -34.46 74.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.442 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -64.02 -55.64 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.35 -44.79 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.372 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.1 m -60.21 -42.99 96.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.644 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.5 t -62.03 -39.7 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.429 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.53 -40.59 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.759 179.675 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.697 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.5 pp . . . . . 0 C--O 1.222 -0.352 0 CA-C-O 121.19 0.519 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CD2' ' N ' ' A' ' 6' ' ' THR . 59.7 t80 -108.14 171.33 7.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.693 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.568 ' N ' ' CD2' ' A' ' 5' ' ' PHE . 4.5 m -57.37 147.91 24.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 11' ' ' LYS . 7.8 m -61.77 -23.92 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.674 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -52.17 -43.88 64.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.685 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -69.58 -47.08 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 14' ' ' ALA . 4.8 tp -71.27 -21.29 62.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' VAL . 29.3 ttmt -57.72 -45.94 85.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.693 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -66.29 -45.44 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.815 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -76.21 -23.3 54.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -74.55 -10.39 59.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.738 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.7 tttt -62.78 -45.64 91.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.681 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' LYS . 33.1 m 34.37 -148.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 123.353 0.408 . . . . 0.0 110.715 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.68 147.24 26.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.028 0.442 . . . . 0.0 110.614 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.13 -168.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.435 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -90.96 160.73 37.26 Favored Pre-proline 0 N--CA 1.452 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.617 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.61 144.73 91.92 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.497 2.131 . . . . 0.0 112.225 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.92 134.18 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.653 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.17 -132.63 12.98 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.82 13.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -80.04 -15.98 56.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -74.61 -28.57 60.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -64.71 -38.7 91.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.64 -41.04 97.19 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.5 mt -69.72 -23.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.698 0.285 . . . . 0.0 110.482 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -90.48 -22.44 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 110.49 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.76 -37.08 86.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -63.16 -32.88 74.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' O ' HG12 ' A' ' 35' ' ' VAL . 11.1 mp -60.59 -36.39 78.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.201 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -69.83 -48.02 60.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.069 0.461 . . . . 0.0 110.611 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' GLN . 4.0 mm? -64.86 -44.88 88.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.706 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -45.68 -24.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.582 -178.566 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.72 -35.02 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.946 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 58.2 tt0 -83.16 -19.06 37.32 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.202 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.68 140.75 53.62 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.833 0.349 . . . . 0.0 110.474 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -143.26 146.48 33.66 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.27 -127.5 14.59 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -67.74 -19.89 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.718 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -63.78 -38.96 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.523 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -66.48 -40.74 89.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.702 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.07 -42.38 95.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.121 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.31 59.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.327 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -22.76 66.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.265 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 t -65.4 -55.23 19.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.08 -34.07 77.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.94 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -62.95 -63.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.345 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.8 mm? -63.54 -31.23 72.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -51.77 -61.09 2.47 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.232 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -67.0 -37.2 83.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.345 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.81 -48.02 80.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.775 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.27 -44.47 94.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.453 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -63.15 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.458 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.87 -41.68 99.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.534 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -61.09 -36.6 80.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.698 HD11 ' OG1' ' A' ' 71' ' ' THR . 96.4 mt -62.09 -43.28 97.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.103 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.8 81.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -74.0 -4.1 33.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.484 ' CG ' ' OD1' ' A' ' 67' ' ' ASN . 13.4 m80 -135.0 68.7 70.76 Favored Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -72.9 -12.43 26.17 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.679 2.252 . . . . 0.0 111.902 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.416 ' O ' ' CB ' ' A' ' 64' ' ' SER . 17.5 p -95.27 2.42 54.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.206 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 63' ' ' THR . 0.7 OUTLIER 77.02 151.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.522 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.53 -146.66 10.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -59.64 -32.03 70.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.781 0.324 . . . . 0.0 110.615 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.484 ' OD1' ' CG ' ' A' ' 61' ' ' HIS . 6.5 m120 -61.98 -39.82 93.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.396 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -53.11 -38.85 62.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.414 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.21 66.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.334 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.97 -40.0 94.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.479 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.698 ' OG1' HD11 ' A' ' 58' ' ' ILE . 24.5 m -54.22 -23.06 13.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.433 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -65.5 -38.08 88.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.693 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.54 -23.16 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.712 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.81 -45.79 88.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.029 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.76 -21.92 61.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.265 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -57.84 -60.32 3.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.531 HG21 ' N ' ' A' ' 4' ' ' ILE . 61.1 t -57.85 -41.45 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.743 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.4 m -43.48 -45.68 6.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.336 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.4 t -72.88 -33.9 66.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.909 0.385 . . . . 0.0 110.401 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -59.58 -50.82 72.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 ttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.12 -39.58 98.15 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -157.91 -63.11 0.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.762 0.315 . . . . 0.0 110.694 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.9 mm -92.95 135.7 27.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.574 ' HB2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -61.52 130.06 44.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 0.0 110.696 -179.48 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 m -80.51 145.48 31.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.995 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.27 -46.89 95.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -61.51 -40.7 95.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.908 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -66.39 -36.84 83.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.442 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD23 ' CD2' ' A' ' 29' ' ' LEU . 46.7 tp -64.46 -38.96 92.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.46 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.53 -37.18 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.739 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.98 -55.66 31.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.696 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.569 ' NH2' ' CB ' ' A' ' 69' ' ' ALA . 83.1 mtp180 -70.47 -37.63 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.619 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.56 -9.77 58.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.809 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' PHE . 88.8 tttt -58.85 -45.42 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.55 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.3 t 45.88 -87.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 15' ' ' LYS . 78.2 t80 -134.1 141.49 47.16 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.182 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.05 112.65 0.46 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -134.31 154.27 79.83 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.732 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -53.71 147.3 40.77 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 121.878 1.719 . . . . 0.0 112.381 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.7 mt -79.17 130.22 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.338 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -70.7 -39.79 66.27 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 76.18 -67.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.667 0.27 . . . . 0.0 110.527 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 t -78.14 -20.26 52.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.782 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -75.06 -17.19 60.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.67 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -55.42 -16.34 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.19 -24.38 28.73 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.2 tt -69.5 -23.24 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD2' HD23 ' A' ' 10' ' ' LEU . 40.0 mt -89.35 -31.09 17.95 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.365 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.02 -26.0 68.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.228 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.88 -38.02 89.53 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.692 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 35' ' ' VAL . 8.0 mp -61.35 -49.62 76.2 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.429 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.69 -38.8 64.75 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' HIS . 38.8 tp -62.42 -40.72 97.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.871 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.793 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.5 p -42.73 -19.28 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.156 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 34' ' ' LEU . 80.3 m80 -75.26 -11.57 60.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.675 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -85.06 -36.7 21.04 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.876 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 43' ' ' GLN . . . -76.65 152.54 35.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 36' ' ' HIS . 43.2 mmtm -147.76 157.17 43.41 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 110.196 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.45 -167.9 37.74 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 9.5 ptm180 -66.08 -22.72 66.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.843 0.354 . . . . 0.0 110.702 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.05 -35.45 80.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.906 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.555 HE21 HG22 ' A' ' 35' ' ' VAL . 59.7 tt0 -65.47 -55.21 19.17 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.078 0.465 . . . . 0.0 110.552 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 47' ' ' SER . 48.3 mt -71.85 -42.28 69.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.878 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 41' ' ' ARG . . . -50.67 -32.6 19.69 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.824 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -60.25 -31.1 69.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 44' ' ' ILE . 60.2 p -55.13 -34.33 63.65 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.709 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -79.77 -18.15 51.73 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.09 -66.42 0.56 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.81 -21.14 64.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.9 0.381 . . . . 0.0 110.971 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -40.37 -58.55 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.203 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -65.56 -42.32 91.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.981 0.419 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -62.98 -31.47 72.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.262 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.612 HG22 HG23 ' A' ' 71' ' ' THR . 5.6 mt -63.9 -24.84 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -49.8 -19.94 0.76 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.123 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.29 -37.75 88.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.631 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CE2' ' NZ ' ' A' ' 74' ' ' LYS . 37.7 m-85 -55.94 -43.01 77.04 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.735 HD11 HG21 ' A' ' 71' ' ' THR . 91.7 mt -63.56 -43.56 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.562 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.25 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.717 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.99 -41.33 71.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -138.25 65.28 42.24 Favored Pre-proline 0 N--CA 1.467 0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.58 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.85 -19.18 21.16 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.583 2.189 . . . . 0.0 112.109 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.4 p -73.29 -25.8 60.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.688 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.8 t -83.12 138.88 33.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.62 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.21 -14.56 74.16 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -65.16 -35.47 81.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.5 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -53.86 -34.78 60.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.195 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.99 -41.24 74.51 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.504 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.569 ' CB ' ' NH2' ' A' ' 13' ' ' ARG . . . -75.17 -48.84 21.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 70' ' ' LEU . 9.1 mp -62.45 -43.93 97.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.647 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.735 HG21 HD11 ' A' ' 58' ' ' ILE . 25.0 m -60.87 -53.17 60.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.824 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -69.1 -42.18 76.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.451 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 73' ' ' LEU . 3.1 tm? -66.03 -55.84 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.422 -0.511 . . . . 0.0 112.014 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' N ' HD13 ' A' ' 73' ' ' LEU . 40.4 mtmt -61.14 -38.87 87.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.275 0.56 . . . . 0.0 109.521 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 54' ' ' ILE . 3.6 tm-20 -53.15 -27.51 21.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.743 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -73.31 -68.58 0.48 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.716 HG13 ' N ' ' A' ' 78' ' ' THR . 13.8 p -87.67 -55.03 6.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.716 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -46.56 -41.65 14.68 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 121.116 -0.99 . . . . 0.0 108.707 -176.586 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.605 ' O ' ' N ' ' A' ' 81' ' ' LEU . 16.0 m -69.11 -31.37 70.04 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.016 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.824 ' O ' ' HB3' ' A' ' 46' ' ' ALA . . . -46.49 -5.81 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.122 0.264 . . . . 0.0 111.39 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 35' ' ' VAL . 85.6 mt -117.51 -17.05 10.11 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 79' ' ' SER . . . 56.07 57.2 20.23 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.961 HD22 ' H ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -74.7 -6.45 48.85 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.152 -179.094 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 83' ' ' LEU . 84.2 tt0 57.3 114.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.698 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -60.38 124.47 20.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.162 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -84.81 142.36 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.592 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -151.93 161.17 43.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.453 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -154.0 161.36 42.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.431 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -76.67 128.96 35.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.324 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.57 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.507 ' H2 ' HD12 ' A' ' 81' ' ' LEU . 8.6 ptm . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.402 ' H ' HG22 ' A' ' 77' ' ' VAL . . . -166.08 -65.52 0.03 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 57.9 tt0 -67.56 113.42 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.339 . . . . 0.0 111.104 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -88.23 163.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.745 178.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -58.03 165.3 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.266 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.6 p -74.24 155.76 37.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.13 0.491 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.3 m -67.26 -21.85 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.699 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -49.18 -46.14 45.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.73 -38.34 76.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.9 0.381 . . . . 0.0 110.482 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.24 -41.4 94.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.753 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.67 -40.99 94.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.632 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.07 -50.92 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.747 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -70.91 -37.88 72.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -9.85 58.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.675 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 ttpm? -57.02 -46.11 82.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.652 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 17' ' ' PHE . 21.8 t 39.66 -107.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.606 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' N ' HG12 ' A' ' 16' ' ' VAL . 76.1 m-85 -149.64 152.75 35.92 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.372 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 41.31 84.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -45.81 111.31 1.36 Allowed Pre-proline 0 N--CA 1.45 -0.473 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.385 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.77 146.28 67.39 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.298 1.999 . . . . 0.0 111.81 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.6 tt -66.1 138.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.547 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.0 161.73 52.32 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.1 -136.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.67 0.272 . . . . 0.0 110.551 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.1 t -80.1 -19.6 47.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.763 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 14.1 p90 -75.81 -17.65 59.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.666 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -58.01 -20.42 38.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.32 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.36 -20.8 7.57 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.8 tt -68.11 -24.87 30.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.776 0.322 . . . . 0.0 110.487 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.7 tp -91.15 -27.89 18.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.544 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.33 -41.53 97.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.2 mt-30 -65.26 -42.31 93.39 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.34 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 HG12 ' A' ' 4' ' ' ILE . 14.1 mt -59.36 -44.44 92.69 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.755 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -68.71 -47.87 65.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.04 0.447 . . . . 0.0 110.507 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.91 -44.27 85.73 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.259 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 31' ' ' GLN . 43.6 t -59.39 -22.85 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.536 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -71.22 -37.21 72.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 1.3 tm0? -88.11 -11.69 46.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.448 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.05 152.6 44.19 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.86 0.362 . . . . 0.0 110.616 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -157.47 141.77 16.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.395 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.22 -149.67 16.66 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -69.4 -27.35 65.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 40.1 p-10 -66.59 -35.6 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.69 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.474 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.6 tt0 -65.93 -39.47 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.49 -43.03 96.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.889 0.376 . . . . 0.0 110.238 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.15 -26.98 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.542 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.54 90.71 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.141 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 t -62.04 -46.14 90.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -63.58 -42.37 98.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.635 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -66.82 -51.58 53.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.492 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.04 -39.06 93.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.46 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.544 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 25.6 t30 -57.4 -50.16 73.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.81 -43.12 97.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.59 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -63.49 -47.61 81.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.582 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -66.21 -44.58 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.544 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 90.3 m-20 -62.55 -41.57 98.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.592 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.06 -38.9 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.583 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -57.49 -38.14 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.415 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' PRO . 97.3 mt -62.12 -43.42 97.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.304 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.49 79.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.453 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.14 -41.46 63.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -135.02 65.24 64.72 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.559 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' ILE . 55.6 Cg_endo -72.94 -21.09 21.39 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.698 2.265 . . . . 0.0 112.018 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.65 -22.82 34.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.441 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.0 m -67.56 142.46 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.461 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.76 -16.61 65.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -67.29 -35.25 79.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.802 0.334 . . . . 0.0 110.827 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 50.3 p30 -61.28 -18.74 59.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.597 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.458 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 86.3 mt-30 -63.41 -39.31 94.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.401 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.4 -20.9 39.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.321 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.61 -40.89 69.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 68' ' ' GLN . 2.7 t -66.0 -20.56 66.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.69 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.68 -31.3 72.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.621 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.47 -39.4 87.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.738 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.491 ' O ' HG12 ' A' ' 77' ' ' VAL . 63.8 tttm -59.13 -46.33 88.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.429 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 78' ' ' THR . 71.1 mm-40 -71.65 -35.56 70.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.933 0.397 . . . . 0.0 111.117 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.41 -40.12 95.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.045 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -50.07 -42.15 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.122 -178.515 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.452 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 12.1 p -68.18 -38.07 81.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.108 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.1 m -67.31 -39.24 85.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.606 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 3' ' ' GLN . . . -55.42 -54.41 44.14 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.74 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.507 HD12 ' H2 ' ' A' ' 1' ' ' MET . 57.7 mt -74.06 -31.98 63.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.92 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.58 54.98 2.26 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 83' ' ' LEU . 4.3 mm? -65.39 -40.77 93.86 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.947 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 60.51 36.06 20.08 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.093 0.473 . . . . 0.0 110.383 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -63.33 -39.05 93.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -58.04 138.87 55.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -57.98 -44.44 87.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.599 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -149.63 137.39 20.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.462 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -68.56 -57.19 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 48.9 t-80 . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.413 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.15 -87.36 0.13 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 41.79 91.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.704 0.288 . . . . 0.0 110.635 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 5' ' ' PHE . 96.6 mt -136.56 158.71 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.892 0.377 . . . . 0.0 110.408 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.521 ' N ' HG22 ' A' ' 4' ' ' ILE . 64.2 m-85 -71.86 140.28 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.6 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -76.68 144.94 39.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.73 -42.34 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -51.98 -33.73 39.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.619 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -65.89 -41.54 91.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.652 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.1 mp -65.54 -38.15 88.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.84 -42.31 93.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.15 -49.42 69.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -70.7 -34.85 72.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.638 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -10.08 58.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.614 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.5 tttt -65.44 -47.37 76.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LYS . 1.5 m 30.05 -105.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 123.436 0.46 . . . . 0.0 110.693 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.412 ' O ' ' O ' ' A' ' 18' ' ' ALA . 97.1 m-85 -111.61 120.78 43.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.424 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . 52.55 172.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.652 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -88.92 156.95 49.24 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.717 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.95 139.89 32.52 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 122.027 1.818 . . . . 0.0 112.119 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.669 ' H ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -79.48 141.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.677 179.742 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 24' ' ' SER . . . 78.23 -20.49 3.97 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 21' ' ' ILE . . . 52.52 6.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.607 0.241 . . . . 0.0 110.732 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 22' ' ' GLY . 19.3 m -82.27 -16.96 47.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.937 0.398 . . . . 0.0 110.606 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.411 ' O ' HG22 ' A' ' 28' ' ' ILE . 91.9 m-85 -75.04 -17.83 60.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.74 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.57 -15.91 3.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.51 -29.82 48.65 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 25' ' ' TYR . 20.1 tt -69.38 -23.9 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 0.0 110.502 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.7 mt -90.09 -41.78 11.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.332 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.89 -36.31 82.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.765 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -63.65 -31.38 72.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.811 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 32' ' ' LEU . 87.9 mt -61.4 -40.18 93.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.263 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.8 -35.97 79.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.859 0.361 . . . . 0.0 110.412 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.5 mp -65.34 -31.12 72.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.656 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.7 -42.76 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.515 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -71.77 -38.33 70.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.661 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -81.92 -25.45 34.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.518 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -76.02 158.09 32.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -154.88 147.1 23.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.224 0.535 . . . . 0.0 110.714 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.95 -128.22 28.55 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.459 ' HD3' ' H ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -62.11 -34.49 76.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.873 0.368 . . . . 0.0 110.599 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.31 -41.01 98.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.422 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.5 -40.78 89.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 110.644 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.5 -42.8 96.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.333 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.28 -42.68 66.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.96 96.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.127 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.45 ' OG ' ' CG1' ' A' ' 77' ' ' VAL . 70.4 m -62.06 -43.52 98.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.904 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -61.88 -46.56 88.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -69.43 -42.63 74.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.36 -39.39 92.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.454 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.57 -41.85 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.126 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.98 -45.13 90.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -63.65 -44.54 93.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.642 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.0 mt -67.05 -46.92 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.448 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.6 -42.28 95.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.87 -38.35 90.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.548 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -57.02 -42.33 80.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.314 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' PRO . 97.6 mt -62.81 -44.17 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.1 85.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -71.79 -40.64 69.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.767 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -136.9 65.97 54.01 Favored Pre-proline 0 N--CA 1.466 0.354 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.588 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ILE . 56.1 Cg_endo -72.56 -23.49 19.84 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.647 2.231 . . . . 0.0 111.851 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.2 p -78.76 -24.12 44.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.62 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 m -72.06 143.15 49.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.402 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.25 -9.35 73.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -67.35 -36.7 81.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.836 0.35 . . . . 0.0 110.598 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -58.78 -17.27 21.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.425 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -58.65 -46.73 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.643 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.55 -36.58 68.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.987 0.422 . . . . 0.0 110.474 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.18 -38.6 91.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.1 m -62.88 -25.96 68.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.672 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -62.34 -30.54 71.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.917 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 73' ' ' LEU . 10.8 mp -61.85 -40.94 97.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.285 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -59.95 -45.29 93.12 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.496 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.75 -44.31 81.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.88 -53.57 48.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.604 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.45 ' CG1' ' OG ' ' A' ' 47' ' ' SER . 78.9 t -61.43 -46.57 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.444 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.2 m -60.33 -44.56 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.0 p -64.22 -32.49 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.485 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.32 85.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.651 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt -66.16 -29.96 70.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.44 23.94 48.93 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.61 -39.93 92.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.712 0.292 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -110.67 101.48 10.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.229 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.527 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 22.3 t-160 -64.92 -44.24 90.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.398 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 85' ' ' HIS . 67.9 m-70 -162.35 42.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.576 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -59.28 -42.97 92.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -56.5 158.96 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.532 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -61.69 -44.21 97.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.643 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.0 t60 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.605 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.8 14.19 78.17 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -56.54 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 0.0 110.624 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.4 mt -90.23 132.52 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.25 134.22 56.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.111 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 7' ' ' VAL . 27.2 m -100.99 168.33 9.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.404 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.601 ' N ' HG22 ' A' ' 6' ' ' THR . 73.7 t -60.71 -45.36 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.564 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -53.14 -39.49 63.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 110.64 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -70.28 -33.57 71.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.808 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.0 -19.98 61.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.205 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.18 -39.02 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.552 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.19 -41.0 99.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -70.3 -39.05 75.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . -75.85 -9.58 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.671 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.18 -41.71 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 16' ' ' VAL . 11.3 m -75.99 -22.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.713 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 14' ' ' ALA . 64.9 m-85 -98.11 146.36 25.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.363 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.24 72.71 1.01 Allowed 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.078 0.466 . . . . 0.0 110.511 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.616 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -91.25 166.26 19.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.282 -179.308 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.87 147.79 79.41 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.363 2.042 . . . . 0.0 112.16 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.2 mm -75.02 132.7 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.367 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.8 95.57 0.95 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.33 -167.78 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 m -77.06 -22.06 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.539 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -70.68 -37.9 73.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.508 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -64.01 -29.97 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.411 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.96 -34.3 88.42 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.86 -25.28 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.675 0.274 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD11 HG22 ' A' ' 7' ' ' VAL . 24.9 tp -91.87 -42.18 10.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.826 0.346 . . . . 0.0 110.54 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -60.18 -49.23 78.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.619 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.25 -25.66 67.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.232 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.44 -41.83 94.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -61.72 -37.0 82.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.0 mp -64.4 -37.73 88.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.695 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.8 t -54.2 -26.14 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.599 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -81.95 -46.44 14.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.2 -3.87 58.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.578 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -72.49 142.11 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.705 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 2.4 mptp? -75.64 176.25 7.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.618 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.05 -44.31 73.1 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -74.83 -46.78 34.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.954 0.407 . . . . 0.0 110.785 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -66.24 -31.27 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.962 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.65 -37.25 86.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.468 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.6 mt -64.5 -43.91 96.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.375 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.78 -40.99 85.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.93 89.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.187 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 m -60.8 -41.94 96.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -61.72 -44.79 96.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.655 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -65.78 -49.15 69.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.963 0.411 . . . . 0.0 110.408 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.03 -34.45 78.03 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.726 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -56.55 -52.78 63.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.124 -178.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 53' ' ' LYS . 16.9 ptpt -67.06 -41.16 86.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.364 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 96.3 mttt -63.24 -45.31 92.15 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.758 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.02 -47.41 85.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.621 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -65.19 -43.55 91.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.019 0.438 . . . . 0.0 110.91 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.86 -44.9 91.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.908 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -59.99 -49.84 76.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.433 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.65 -44.62 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.466 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.75 -25.02 67.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.518 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -68.65 -41.9 78.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.573 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CB ' ' HG ' ' A' ' 64' ' ' SER . 93.0 m-70 -144.99 71.63 14.82 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.645 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -56.1 -34.6 93.26 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.815 2.344 . . . . 0.0 111.925 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 63' ' ' THR . 85.4 m -73.19 0.85 10.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.697 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.411 ' HG ' ' CB ' ' A' ' 61' ' ' HIS . 58.9 m -56.88 -40.45 76.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.17 -50.59 3.99 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -64.22 -38.91 92.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.853 0.359 . . . . 0.0 110.427 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 70' ' ' LEU . 6.0 m120 -63.98 -19.18 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.205 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.497 ' O ' HG22 ' A' ' 71' ' ' THR . 59.4 tt0 -46.53 -32.54 3.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.497 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.31 -20.68 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.962 0.411 . . . . 0.0 110.58 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' ASN . 5.3 tp -63.16 -40.09 96.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.672 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 68' ' ' GLN . 3.6 t -56.85 -19.08 15.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.278 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -58.59 -39.36 80.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.348 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.1 mt -62.28 -40.63 96.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 51' ' ' ASN . 54.3 tttp -59.88 -47.6 85.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.648 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.6 -44.74 81.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.72 -53.4 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.6 t -61.2 -46.37 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.459 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.9 m -60.82 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.608 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.8 p -64.25 -33.52 76.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.531 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.75 89.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.7 mt -66.33 -30.27 70.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.47 12.97 64.1 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.84 -40.56 88.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.579 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 56.01 -96.85 0.07 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.527 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -82.45 126.26 32.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -165.57 105.68 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -144.46 136.17 25.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.562 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.427 ' O ' ' CG ' ' A' ' 88' ' ' HIS . 86.2 t60 -171.23 60.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.515 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -65.36 -44.71 86.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.521 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.402 ' C ' ' H ' ' A' ' 4' ' ' ILE . . . 167.89 -156.13 27.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.49 9.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.384 . . . . 0.0 110.471 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.402 ' H ' ' C ' ' A' ' 2' ' ' GLY . 89.1 mt -91.39 130.87 39.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.497 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' CD1' ' NE2' ' A' ' 76' ' ' GLN . 5.2 m-85 -72.9 142.45 47.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.556 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -71.39 146.35 48.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.58 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 8' ' ' GLN . 12.6 p -62.64 -36.89 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.657 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' N ' HG13 ' A' ' 7' ' ' VAL . 57.9 tt0 -59.45 -41.76 90.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.06 -46.24 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.617 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.13 -36.81 82.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -58.26 -43.6 87.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.76 -42.15 95.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.635 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.13 -39.23 75.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.661 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.96 -10.43 59.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' PHE . 45.1 tptt -60.79 -43.46 98.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.6 t 46.5 -89.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.617 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 89.1 t80 -151.22 166.14 31.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.579 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.555 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . 52.46 173.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 114.26 13.5 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.06 140.99 23.22 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.537 2.158 . . . . 0.0 112.121 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 21' ' ' ILE . 20.7 tt -91.89 127.8 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.465 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.652 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 41.18 -116.61 0.92 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 81.28 155.76 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.823 0.344 . . . . 0.0 110.447 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.7 p -81.05 -12.89 59.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -67.34 -19.47 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.686 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.62 -22.9 66.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.74 -26.3 60.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mm -69.32 -42.08 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.773 0.32 . . . . 0.0 110.804 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.4 tp -89.76 -36.25 15.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.729 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -60.84 -35.48 76.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.226 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.22 -38.41 90.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.473 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD21 HD12 ' A' ' 73' ' ' LEU . 7.3 mt -60.28 -42.77 96.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.785 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 64.6 t0 -62.54 -38.49 90.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.287 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 38' ' ' ALA . 89.4 mt -63.57 -38.96 93.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -42.64 90.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -73.44 -36.17 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -83.84 -24.86 30.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.639 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -77.11 155.07 32.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -156.93 140.71 16.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.45 0.643 . . . . 0.0 110.312 -179.349 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.74 -138.27 14.74 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -63.79 -39.58 94.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 110.67 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 46.2 p-10 -61.12 -24.47 66.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -178.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 59.2 tt0 -67.57 -38.78 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 44' ' ' ILE . 1.9 mp -64.55 -43.58 96.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.65 -54.25 46.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.68 99.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.624 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -63.13 -50.21 71.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.919 0.39 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -64.35 -46.45 83.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.765 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -66.56 -37.17 84.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.472 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.11 -39.41 86.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.616 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -57.8 -42.26 83.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.231 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -64.44 -40.35 95.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.779 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.49 -44.62 95.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.778 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -45.18 93.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.541 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' OD1' ' CD ' ' A' ' 74' ' ' LYS . 89.4 m-20 -63.32 -45.36 91.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -65.32 -41.71 93.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.788 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -58.32 -43.92 88.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.374 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.25 -44.52 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.18 93.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.503 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -70.27 -41.51 73.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.791 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -138.02 70.1 49.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.74 -15.6 21.34 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.659 2.239 . . . . 0.0 112.086 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.6 p -98.35 1.85 47.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.387 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.4 p -62.32 -34.81 77.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.684 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.85 -39.39 2.72 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -70.41 -19.34 63.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.705 0.288 . . . . 0.0 110.57 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 51.2 p-10 -67.02 -17.66 65.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.607 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.466 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 65.1 tt0 -56.69 -34.5 67.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.07 70.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.3 mp -63.72 -40.92 97.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.896 0.379 . . . . 0.0 110.536 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.8 m -51.22 -36.73 43.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -62.13 -40.04 94.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 73' ' ' LEU . 4.0 mm? -61.92 -40.99 97.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.737 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 78' ' ' THR . 25.7 ttpp -57.58 -47.35 82.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.572 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 78' ' ' THR . 98.5 mt-10 -66.64 -38.14 86.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.64 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.432 ' NE2' ' CD1' ' A' ' 5' ' ' PHE . 81.8 mt-30 -64.64 -45.77 85.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 81' ' ' LEU . 72.4 t -60.4 -46.92 94.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.542 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 74' ' ' LYS . 33.7 p -52.11 -39.79 60.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.58 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 t -68.57 -59.42 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.09 -28.42 69.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.545 ' CD2' HD21 ' A' ' 83' ' ' LEU . 44.4 tp -65.48 -31.95 73.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.556 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.42 54.7 8.45 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.511 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' A' ' 81' ' ' LEU . 93.3 mt -69.66 -25.0 63.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.75 -25.95 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.391 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.4 m170 -55.48 -77.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.5 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -143.72 104.4 4.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 0.0 110.487 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.444 ' O ' ' ND1' ' A' ' 87' ' ' HIS . 53.3 t-80 -151.73 15.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.53 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -90.83 76.1 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.383 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -66.06 -42.24 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.553 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.407 ' ND1' ' O ' ' A' ' 90' ' ' HIS . 29.4 p80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.509 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.0 mmm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.14 18.14 77.03 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -144.79 148.1 33.67 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.923 0.392 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.9 mt -88.31 134.07 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.643 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.0 132.96 52.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.303 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 7' ' ' VAL . 11.2 m -79.09 159.57 27.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.423 ' N ' HG22 ' A' ' 6' ' ' THR . 20.7 m -63.71 -37.78 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.663 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -52.51 -47.09 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.828 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.37 -36.65 77.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.653 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 14' ' ' ALA . 4.8 tp -64.17 -36.23 83.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.66 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.25 -41.74 80.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.735 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.61 -47.05 80.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.663 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -74.58 -23.81 58.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.25 -9.94 59.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.736 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 17' ' ' PHE . 10.2 mtpm? -58.52 -45.41 88.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.7 t 39.24 -90.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.898 0.38 . . . . 0.0 110.95 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' LYS . 90.8 t80 -150.79 163.79 37.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.501 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -63.09 115.45 4.47 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -136.29 149.2 67.16 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.046 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -46.85 142.29 10.78 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.087 1.858 . . . . 0.0 112.247 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 pt -88.8 146.26 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.573 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.99 164.11 34.1 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.29 -25.37 63.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.911 0.386 . . . . 0.0 110.643 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 m -80.24 -18.03 50.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.446 ' O ' HG22 ' A' ' 28' ' ' ILE . 87.4 t80 -70.59 -46.75 62.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -69.01 -16.86 63.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.632 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' C ' ' NZ ' ' A' ' 53' ' ' LYS . . . -52.19 -30.36 31.52 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 25' ' ' TYR . 19.6 tt -69.36 -27.39 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.923 0.392 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -91.35 -39.74 11.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.658 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 64.2 t0 -60.23 -39.14 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 35' ' ' VAL . 10.7 tp-100 -65.19 -36.65 84.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.277 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.27 -51.43 69.6 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.439 -178.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -63.38 -35.83 81.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.378 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.9 tp -62.45 -40.9 98.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.742 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 31' ' ' GLN . 40.9 t -55.34 -22.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.292 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -84.16 -46.02 12.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -85.78 -10.81 54.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.974 0.416 . . . . 0.0 110.568 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -72.2 140.39 48.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 43' ' ' GLN . 31.7 mmtm -81.12 175.15 10.9 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.73 -25.76 9.71 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -86.75 -59.05 2.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.812 0.339 . . . . 0.0 110.664 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -65.64 -28.38 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 56.1 tt0 -64.16 -41.11 97.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.284 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.01 -43.31 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.408 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.06 -35.19 70.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.31 82.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.342 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.4 p -62.19 -45.16 94.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -63.34 -45.94 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -67.39 -48.57 66.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.455 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.69 -40.45 97.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -59.0 -48.44 81.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.595 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -64.04 -39.76 94.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.359 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.474 ' NZ ' ' C ' ' A' ' 27' ' ' GLY . 37.7 ttmt -62.43 -45.99 90.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.554 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.92 -44.64 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -63.27 -41.14 98.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.86 -39.35 94.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.66 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.78 -43.47 90.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.95 -44.78 99.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.374 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.44 83.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -71.67 -40.57 69.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.619 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -137.5 66.57 50.96 Favored Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.716 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.32 -15.33 22.62 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.762 2.308 . . . . 0.0 111.912 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.1 p -91.99 -15.28 28.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 t -61.08 -44.9 96.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.37 -19.51 8.44 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -72.11 -20.44 61.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.845 0.355 . . . . 0.0 110.59 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' LEU . 88.8 m-20 -65.93 -23.69 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.302 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -44.73 -30.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.617 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.76 -36.81 70.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.285 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' ASN . 58.1 mt -67.18 -37.35 83.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.948 0.404 . . . . 0.0 110.613 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -58.47 -29.98 66.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.71 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.11 -37.66 85.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.74 -40.57 97.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.333 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -56.61 -49.65 74.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.516 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.93 -35.42 78.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.684 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -63.55 -53.38 52.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.655 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.16 -44.05 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.381 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 79.4 m -58.63 -44.72 90.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.1 p -64.96 -34.81 79.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.45 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.24 -27.63 68.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.48 12.21 61.46 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.85 -40.14 83.72 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.595 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 58.4 107.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.316 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.445 ' CD2' ' H ' ' A' ' 85' ' ' HIS . 9.3 p80 -74.59 144.84 43.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.456 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.98 -46.67 88.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.604 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 88' ' ' HIS . 11.5 t-160 -166.47 -78.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.519 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 87' ' ' HIS . 77.9 m80 55.41 112.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.658 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -152.22 152.93 32.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.434 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.633 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.15 -141.4 47.8 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.425 ' O ' ' OE1' ' A' ' 76' ' ' GLN . 49.3 tt0 -157.58 87.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.642 0.258 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 5' ' ' PHE . 96.4 mt -136.25 157.17 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.403 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.525 ' CZ ' ' OE1' ' A' ' 72' ' ' GLN . 59.9 m-85 -68.59 135.11 50.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.451 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -73.44 149.5 42.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.554 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 8' ' ' GLN . 11.5 p -60.56 -41.16 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.714 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.509 ' N ' HG13 ' A' ' 7' ' ' VAL . 59.2 tt0 -55.18 -41.64 72.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.728 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.23 -35.39 68.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.793 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 92.1 mt -67.39 -29.42 68.93 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.01 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -52.28 -39.63 60.71 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.933 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.14 -58.12 6.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.831 0.348 . . . . 0.0 111.262 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 88.6 mtm180 -70.05 -36.97 75.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . -69.01 -10.02 55.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.492 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.584 ' NZ ' ' CD1' ' A' ' 17' ' ' PHE . 14.8 tmtt? -58.94 -47.05 86.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.721 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.548 ' O ' ' O ' ' A' ' 15' ' ' LYS . 41.9 t 49.81 118.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.32 0.581 . . . . 0.0 111.07 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.584 ' CD1' ' NZ ' ' A' ' 15' ' ' LYS . 87.6 m-85 -67.81 136.73 54.61 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.79 41.82 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.121 0.486 . . . . 0.0 110.535 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -44.93 159.22 0.27 Allowed Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.913 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.32 151.23 53.73 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.425 2.083 . . . . 0.0 112.083 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.6 pt -66.55 152.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.724 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.55 18.44 60.23 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 41.76 77.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.834 0.35 . . . . 0.0 110.776 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -82.12 -15.61 52.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -73.75 -18.62 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.555 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -61.85 -43.99 97.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.579 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.3 -31.25 78.47 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 32' ' ' LEU . 29.5 mm -70.05 -23.35 25.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-O 120.798 0.332 . . . . 0.0 110.538 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tt -92.66 -42.55 9.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.776 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -58.67 -45.55 89.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.451 ' HA ' HE21 ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.21 -40.81 96.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.154 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 28' ' ' ILE . 3.5 mm? -61.64 -42.57 99.09 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.389 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -65.35 -34.22 77.8 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.043 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 50.9 tp -64.9 -41.92 95.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.014 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -55.98 -27.15 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.352 -178.165 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -79.5 -40.18 30.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.241 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -84.42 -21.98 30.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.617 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -77.4 159.91 29.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -160.88 139.64 10.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.65 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.61 -125.07 9.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 9.6 mpt_? -63.79 -36.44 83.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.803 0.335 . . . . 0.0 110.632 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -62.53 -38.35 89.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.625 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.27 -39.8 89.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.623 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.35 -42.35 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.383 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.31 -40.53 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.99 92.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.533 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.1 t -62.07 -42.77 99.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.27 -46.0 92.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.612 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -67.22 -45.95 75.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.452 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD21 ' CD2' ' A' ' 32' ' ' LEU . 7.5 mt -62.58 -40.74 97.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.723 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -57.6 -43.68 84.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.135 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -64.2 -44.03 93.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.495 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -64.17 -47.75 78.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.699 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.27 -44.95 87.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.403 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -65.02 -43.99 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.08 -38.94 92.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.602 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.32 -40.37 74.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.355 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.92 -44.3 99.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.429 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.52 84.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.95 -41.83 64.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.896 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -135.0 66.22 67.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.523 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.56 -25.14 21.36 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.671 2.247 . . . . 0.0 111.926 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 79.5 p -77.17 -24.27 51.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.432 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.8 t -67.65 141.21 56.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.547 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.88 -17.88 60.69 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 13' ' ' ARG . 47.0 mmm-85 -65.58 -23.95 66.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.59 0.233 . . . . 0.0 110.659 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 57.7 p30 -63.68 -16.78 61.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.49 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 53.1 mt-30 -63.75 -39.58 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.12 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -64.2 -40.78 96.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.866 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -63.08 -24.28 67.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.623 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.525 ' OE1' ' CZ ' ' A' ' 5' ' ' PHE . 56.7 tt0 -66.15 -36.31 82.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 73' ' ' LEU . 11.0 mp -62.3 -40.22 95.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.523 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -58.42 -43.9 88.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.55 -40.47 84.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 3' ' ' GLN . 95.3 mm-40 -64.13 -54.74 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.45 -46.0 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.459 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.6 m -61.0 -44.36 97.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.6 t -63.43 -40.98 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.08 -50.46 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.593 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.8 mt -66.89 -30.58 70.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 14.13 74.39 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 85' ' ' HIS . 88.3 mt -65.33 -41.08 94.33 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.598 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 55.26 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.505 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 83' ' ' LEU . 21.3 p-80 -78.54 148.85 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.422 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.471 ' CG ' ' N ' ' A' ' 87' ' ' HIS . 80.7 t60 -153.1 164.92 37.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.471 ' N ' ' CG ' ' A' ' 86' ' ' HIS . 72.3 m80 -79.37 157.96 27.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 89' ' ' HIS . 59.3 t-80 -71.49 129.12 37.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.43 ' O ' ' CE1' ' A' ' 88' ' ' HIS . 37.3 p-80 -72.9 138.0 45.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.623 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.5 m80 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.574 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.2 mmm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.03 -103.71 0.2 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.441 ' O ' ' OE1' ' A' ' 76' ' ' GLN . 89.0 mt-30 -62.86 -33.35 75.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.2 mt -86.85 131.46 34.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' HB2' HD11 ' A' ' 73' ' ' LEU . 68.5 m-85 -67.62 135.86 53.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.41 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 p -79.36 163.75 24.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.476 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 8' ' ' GLN . 5.2 p -61.72 -46.75 95.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.777 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.504 ' N ' HG13 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -47.48 -49.02 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.329 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.87 -35.62 77.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.017 0.437 . . . . 0.0 110.254 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.27 -35.54 81.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.731 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.75 -41.65 91.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.851 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -61.88 -52.67 63.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -70.03 -38.66 75.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.691 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.22 -9.67 58.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.663 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' O ' ' O ' ' A' ' 16' ' ' VAL . 38.3 ttpt -57.04 -46.36 82.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.864 HG22 ' H ' ' A' ' 17' ' ' PHE . 11.8 p 42.98 -177.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 123.706 0.629 . . . . 0.0 111.256 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.864 ' H ' HG22 ' A' ' 16' ' ' VAL . 86.7 t80 -70.05 131.96 45.14 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 17' ' ' PHE . . . 70.45 166.55 0.29 Allowed 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.619 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -98.91 114.07 65.13 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.476 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -53.42 146.91 39.55 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.432 2.088 . . . . 0.0 112.497 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -50.67 136.95 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -75.49 -177.99 42.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 75.11 -67.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.009 0.433 . . . . 0.0 110.496 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -73.99 -38.53 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.573 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -74.78 -22.55 58.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -66.17 -31.87 72.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.746 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.56 -18.07 79.37 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.441 ' O ' HD23 ' A' ' 32' ' ' LEU . 31.7 mm -65.56 -42.52 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 C-N-CA 121.331 -0.148 . . . . 0.0 110.962 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -26.72 18.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.889 0.376 . . . . 0.0 110.823 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.39 -35.21 75.22 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.404 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -66.12 -34.92 79.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.608 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.64 ' O ' HG12 ' A' ' 35' ' ' VAL . 4.1 mm? -62.14 -46.68 87.92 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 68.2 t0 -67.98 -35.33 78.17 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.259 0.552 . . . . 0.0 110.475 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' ALA . 39.0 tp -63.39 -39.44 94.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.265 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -52.97 -28.13 13.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.481 -178.709 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -79.38 -44.21 21.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.619 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -84.99 -8.55 58.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.153 0.502 . . . . 0.0 110.199 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -68.52 142.07 55.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.505 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 43' ' ' GLN . 14.4 tmtt? -72.73 158.48 35.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.83 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . . . -33.87 -74.47 0.07 OUTLIER Glycine 0 CA--C 1.532 1.141 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.34 -42.47 91.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.537 -0.39 . . . . 0.0 110.564 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.63 -24.0 67.36 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.673 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.595 ' N ' ' O ' ' A' ' 39' ' ' LYS . 50.8 tt0 -69.14 -32.28 71.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.435 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.03 -43.05 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.333 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.75 77.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.709 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.77 98.12 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.423 ' OG ' HD11 ' A' ' 81' ' ' LEU . 47.6 m -62.17 -46.86 87.06 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.97 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -63.91 -47.27 81.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.622 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -68.15 -41.08 82.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.47 -36.25 79.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.302 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -57.87 -40.65 80.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.223 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -43.3 95.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.7 -47.28 84.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.443 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.3 -44.35 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.431 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.12 -41.78 98.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.631 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.52 -40.04 95.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.532 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CZ ' ' NE2' ' A' ' 61' ' ' HIS . 46.8 t80 -59.06 -40.72 86.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.327 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.47 -43.13 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.302 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.93 86.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.344 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -76.6 -1.71 28.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.517 ' NE2' ' CZ ' ' A' ' 57' ' ' TYR . 32.2 m80 -127.45 63.08 57.54 Favored Pre-proline 0 N--CA 1.466 0.37 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.455 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.7 -20.99 52.3 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.667 2.245 . . . . 0.0 111.836 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -79.05 -14.77 58.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.404 -179.793 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m 69.21 149.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.2 -107.21 0.26 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.52 ' NH1' ' H ' ' A' ' 16' ' ' VAL . 24.8 mmt85 -78.76 -10.67 59.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.837 0.351 . . . . 0.0 110.604 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 46.3 p-10 -64.8 -21.19 66.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.401 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 85.7 mt-30 -65.51 -34.73 78.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.62 -39.12 73.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.23 -37.96 86.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.58 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -59.78 -31.83 70.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.881 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -61.42 -39.51 91.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.756 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 73' ' ' LEU . 4.2 mm? -63.16 -40.85 98.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.985 0.422 . . . . 0.0 110.395 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HB3' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -59.46 -49.99 75.64 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.835 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.89 -39.83 79.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.616 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 3' ' ' GLN . 17.7 tt0 -64.67 -51.37 62.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.772 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.39 -47.64 91.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.422 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.8 p -62.54 -42.24 99.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 m -63.89 -36.29 83.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.548 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.51 -46.73 80.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.682 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.423 HD11 ' OG ' ' A' ' 47' ' ' SER . 83.6 mt -66.7 -29.87 69.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.545 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.0 17.93 64.2 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 84' ' ' GLU . 84.7 mt -65.42 -41.58 93.41 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.575 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 83' ' ' LEU . 44.6 tp10 58.92 146.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.384 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' GLU . 65.4 t-80 59.14 146.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.638 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.432 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 47.2 t-80 -58.87 -86.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.644 ' CG ' ' H ' ' A' ' 88' ' ' HIS . 1.1 t-80 43.47 -148.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.644 ' H ' ' CG ' ' A' ' 87' ' ' HIS . 75.7 m80 42.7 49.82 4.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.652 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -59.48 -45.12 92.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.419 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.0 t60 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.542 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ptp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.31 78.69 0.19 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -78.56 -9.8 59.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.4 mt -89.56 138.45 19.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.502 ' CE2' ' NE2' ' A' ' 76' ' ' GLN . 70.0 m-85 -59.0 135.09 57.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -73.6 147.17 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.565 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.7 -45.35 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -55.84 -40.47 72.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.412 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -68.42 -38.39 81.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.58 -35.17 79.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -59.32 -40.69 87.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -58.27 -56.34 23.4 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.818 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -69.95 -37.6 75.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.7 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.17 -8.75 57.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.606 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.8 tttt -63.04 -47.49 82.77 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 15' ' ' LYS . 1.2 m 27.69 -101.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 123.534 0.521 . . . . 0.0 110.677 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.611 ' CZ ' ' NZ ' ' A' ' 19' ' ' LYS . 55.0 p90 -99.84 141.58 32.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.247 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.15 128.86 14.64 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.377 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' NZ ' ' CZ ' ' A' ' 17' ' ' PHE . 12.9 mttm -109.61 149.22 39.58 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.72 139.98 30.56 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.195 1.93 . . . . 0.0 112.269 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 22' ' ' GLY . 34.3 pt -79.39 144.45 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.57 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' ILE . . . 49.95 103.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.25 173.22 14.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.578 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.8 t -72.68 -15.54 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.63 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.639 ' O ' HG22 ' A' ' 28' ' ' ILE . 85.6 t80 -68.72 -34.84 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.473 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.37 -23.0 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.489 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.66 -19.59 62.94 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 25' ' ' TYR . 18.9 tt -66.31 -24.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.779 0.324 . . . . 0.0 110.449 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -92.6 -30.45 15.62 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.458 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 46.5 t0 -62.22 -34.86 77.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.04 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 28' ' ' ILE . 11.7 pt20 -63.31 -37.0 85.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -61.11 -43.23 99.2 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.735 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.47 -35.14 79.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.088 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ALA . 35.4 tp -64.56 -37.48 87.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.409 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.8 t -58.01 -28.23 33.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.325 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -80.79 -45.05 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.66 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -84.44 -8.05 59.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.005 0.431 . . . . 0.0 110.421 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -70.44 144.86 51.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.566 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -73.22 161.15 30.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.429 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.2 -59.12 3.09 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.7 mtm-85 -64.28 -46.0 85.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.771 0.319 . . . . 0.0 110.956 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.24 -21.17 66.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.783 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' A' ' 39' ' ' LYS . 51.4 tt0 -68.0 -38.19 82.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.454 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 44' ' ' ILE . 2.0 mp -64.8 -43.3 96.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.003 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.78 -37.14 70.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.527 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -34.96 77.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.282 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.7 m -55.66 -40.11 71.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.685 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -63.31 -41.34 98.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -65.68 -50.83 63.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.409 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.76 -42.32 98.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.802 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.14 -50.28 74.33 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.566 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.73 -45.44 78.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.28 -47.26 85.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.94 -45.19 91.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.445 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.31 -43.49 94.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.035 0.445 . . . . 0.0 110.492 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.93 -40.34 94.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.659 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -55.26 -39.88 70.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.487 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.555 ' HA ' HD21 ' A' ' 67' ' ' ASN . 83.7 mt -62.8 -44.68 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.526 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.1 77.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.643 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.92 -41.18 78.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.787 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.558 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 46.0 m80 -142.32 68.21 21.26 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.26 -19.44 15.3 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.665 2.244 . . . . 0.0 111.913 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.7 m -76.48 -18.06 58.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.702 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.5 m -58.51 -41.68 85.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.696 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.58 -24.25 3.23 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -74.85 -15.03 60.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 61' ' ' HIS . 3.4 m-20 -67.76 -19.9 65.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -51.68 -40.31 59.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.582 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.88 -37.16 75.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.895 0.379 . . . . 0.0 110.296 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.96 -40.56 96.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.425 ' OG1' HD11 ' A' ' 58' ' ' ILE . 25.2 m -57.22 -22.92 44.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.477 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -63.01 -31.84 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.642 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 73' ' ' LEU . 10.4 mp -64.01 -38.73 92.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.65 -53.76 50.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -69.4 -27.47 65.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.636 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.502 ' NE2' ' CE2' ' A' ' 5' ' ' PHE . 50.7 tt0 -62.35 -48.42 79.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.08 -47.23 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.0 p -61.76 -44.91 95.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.485 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -64.77 -43.65 92.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.638 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.23 82.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.58 -27.77 67.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.627 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.92 11.54 78.89 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.6 tp -66.9 -43.87 82.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.677 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 55.62 93.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.586 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -68.68 128.74 37.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.521 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -65.08 -45.56 84.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -167.67 -39.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -150.9 166.65 29.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.466 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -152.82 149.72 28.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.444 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 1' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.31 127.0 0.93 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -95.33 8.07 44.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 0.0 110.465 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 5' ' ' PHE . 92.6 mt -86.33 157.95 3.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.525 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 73' ' ' LEU . 39.5 m-85 -69.12 133.0 47.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.49 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 p -83.33 161.92 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.6 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 8' ' ' GLN . 27.0 m -65.7 -40.49 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.631 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.467 ' N ' HG23 ' A' ' 7' ' ' VAL . 88.8 mt-30 -54.78 -40.98 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.632 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.45 -42.02 88.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.74 -40.65 92.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.74 -41.89 91.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.28 -49.17 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 HH12 ' HB1' ' A' ' 69' ' ' ALA . 90.1 mtm180 -72.38 -22.76 61.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.655 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -11.1 60.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.696 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' VAL . 60.8 mttp -63.61 -43.61 96.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LYS . 33.5 m 34.31 -146.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.427 0.455 . . . . 0.0 110.851 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -98.31 148.84 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.622 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.93 -130.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.622 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -150.69 115.63 3.28 Favored Pre-proline 0 N--CA 1.445 -0.723 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.766 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.77 159.86 38.15 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.734 2.289 . . . . 0.0 112.042 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 21' ' ' ILE . 19.3 tt -84.18 131.17 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.686 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.596 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -79.09 -161.91 22.09 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 76.07 -64.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.831 0.348 . . . . 0.0 110.552 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.1 p -72.91 -40.42 65.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.356 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -79.15 -19.59 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.586 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -66.86 -27.9 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.19 87.94 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.15 -23.44 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.457 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.2 mp -92.03 -45.37 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.283 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -61.46 -31.11 71.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.68 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -62.52 -36.68 83.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.87 -43.1 98.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.311 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.12 -42.47 99.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.144 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.48 -43.38 90.42 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.62 -25.47 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -80.93 -37.36 29.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.326 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -82.74 -22.49 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.339 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.3 158.11 35.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' H ' ' HB2' ' A' ' 42' ' ' ASP . 28.2 tptp -159.21 142.27 14.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.63 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.66 -130.87 10.95 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -66.93 -19.86 65.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' HB2' ' H ' ' A' ' 39' ' ' LYS . 98.0 m-20 -65.38 -35.77 81.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.597 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -66.12 -36.73 83.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.48 -42.9 94.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.71 -39.44 68.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.71 97.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.387 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.6 p -62.88 -34.65 77.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.741 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CE2' ' NZ ' ' A' ' 52' ' ' LYS . 51.0 t80 -61.15 -48.95 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.651 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -70.71 -45.08 65.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.929 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.27 -40.12 92.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.632 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 87.4 m-20 -53.31 -52.0 60.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.584 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.508 ' NZ ' ' CE2' ' A' ' 48' ' ' PHE . 30.8 mtmm -66.07 -45.9 79.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.825 0.345 . . . . 0.0 111.014 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.62 -48.0 82.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -43.84 94.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.38 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.638 ' ND2' ' NZ ' ' A' ' 74' ' ' LYS . 13.7 m120 -62.65 -38.53 90.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.342 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -58.31 -46.59 85.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.401 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.25 -41.41 88.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.639 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.543 HD11 ' OG1' ' A' ' 71' ' ' THR . 96.2 mt -62.82 -44.51 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.333 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.02 93.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.609 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.92 -39.75 63.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 52.6 m-70 -134.17 65.35 68.73 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.586 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.76 -19.81 30.92 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.709 2.272 . . . . 0.0 111.943 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -22.03 28.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.337 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.47 ' CB ' HH21 ' A' ' 66' ' ' ARG . 23.4 m -63.42 144.57 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.401 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.93 -18.91 53.25 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.734 ' HE ' ' H ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -66.76 -37.3 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.678 -0.307 . . . . 0.0 110.743 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 61' ' ' HIS . 51.5 p30 -64.31 -19.09 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.685 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.485 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 99.2 mm-40 -60.09 -42.66 95.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.48 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HB1' HH12 ' A' ' 13' ' ' ARG . . . -76.31 -29.96 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.447 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.0 tp -69.26 -39.05 78.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.09 0.472 . . . . 0.0 110.694 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.543 ' OG1' HD11 ' A' ' 58' ' ' ILE . 24.8 m -64.77 -21.21 66.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.607 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -71.65 -22.8 61.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 5' ' ' PHE . 3.8 mm? -60.81 -48.0 83.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.638 ' NZ ' ' ND2' ' A' ' 55' ' ' ASN . 15.1 ptpt -63.84 -34.69 78.5 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.283 0.364 . . . . 0.0 110.711 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.84 -47.78 79.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.712 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.14 -43.75 90.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 73' ' ' LEU . 70.8 t -60.79 -46.28 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 74' ' ' LYS . 17.0 p -58.64 -40.4 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -63.33 -41.99 98.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.87 96.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.659 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.51 -32.59 74.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.741 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.1 54.98 3.64 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.8 mp -64.42 -37.78 88.71 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -104.83 121.18 43.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.37 . . . . 0.0 110.064 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -71.44 145.03 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.404 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -106.57 126.61 52.49 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.376 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.8 m80 55.29 104.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.564 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -77.43 127.0 31.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.466 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -135.51 113.27 10.96 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.587 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.3 m80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.604 179.748 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 ttp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.46 -168.7 41.7 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -63.58 -39.48 94.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.478 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.7 mm -89.84 130.39 39.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.499 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.53 ' CE2' ' NE2' ' A' ' 76' ' ' GLN . 43.3 m-85 -69.83 134.54 48.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.561 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -78.34 150.03 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.93 -46.94 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.62 -40.34 78.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.115 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.74 -47.42 75.32 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.269 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 14' ' ' ALA . 6.2 tp -70.85 -22.37 62.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.665 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.72 -45.94 85.1 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.604 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.93 -44.96 83.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -72.04 -23.22 61.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.48 -13.15 61.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.697 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 16' ' ' VAL . 69.0 mmtt -62.44 -43.56 98.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.701 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.852 HG22 ' H ' ' A' ' 17' ' ' PHE . 12.0 p 45.54 -178.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.988 0.423 . . . . 0.0 110.764 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.852 ' H ' HG22 ' A' ' 16' ' ' VAL . 94.6 m-85 -103.47 120.07 40.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . 58.41 119.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.647 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -152.57 114.91 2.84 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.668 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.97 143.05 41.56 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.737 1.625 . . . . 0.0 112.513 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.8 tt -74.88 137.17 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.328 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -159.68 -26.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 66.3 -6.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.703 0.287 . . . . 0.0 110.64 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.489 ' H ' ' C ' ' A' ' 22' ' ' GLY . 78.0 p -77.5 -17.36 58.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.591 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -77.32 -23.54 50.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -64.98 -32.2 73.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.77 -31.42 78.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.12 -25.44 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.72 0.295 . . . . 0.0 110.621 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.8 mp -91.16 -32.73 15.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.314 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.84 -38.38 88.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.315 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 35' ' ' VAL . 84.4 mt-30 -64.8 -30.02 71.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.11 -46.08 92.07 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.73 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.15 -43.1 92.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.189 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 53.4 tp -63.86 -44.36 93.33 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.532 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 31' ' ' GLN . 37.2 t -55.7 -23.46 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.385 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -79.0 -51.24 9.87 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.451 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -90.23 6.89 40.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.603 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -69.54 145.82 52.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.288 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -71.88 149.86 44.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.994 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' LYS . . . -34.23 -69.66 0.18 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.492 ' H ' ' CE ' ' A' ' 39' ' ' LYS . 60.8 ttm-85 -58.19 -42.79 86.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.449 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -64.32 -29.16 70.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 39' ' ' LYS . 59.6 tt0 -67.36 -37.8 83.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.12 -44.49 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.84 85.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.938 0.399 . . . . 0.0 110.643 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.8 85.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.601 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.0 p -61.8 -42.57 99.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.832 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -64.18 -36.01 82.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -64.14 -51.62 63.01 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.361 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.48 -37.48 87.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.047 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -50.91 -49.11 60.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -43.13 94.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.385 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -62.59 -49.22 76.11 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.782 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.4 -45.29 79.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.833 0.349 . . . . 0.0 110.441 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -62.44 -44.58 96.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.573 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 65.8 t0 -65.59 -38.18 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.595 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CZ ' ' CE1' ' A' ' 61' ' ' HIS . 56.0 t80 -59.38 -41.84 90.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.376 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.53 -43.53 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.1 92.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.443 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.83 -4.32 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.7 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CE1' ' CZ ' ' A' ' 57' ' ' TYR . 49.9 m80 -125.78 66.58 57.51 Favored Pre-proline 0 N--CA 1.467 0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.429 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.73 -15.57 37.25 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.561 2.174 . . . . 0.0 111.978 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 64' ' ' SER . 53.1 p -86.76 -4.77 59.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.646 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 63' ' ' THR . 11.3 t 58.43 148.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.655 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.888 ' N ' HE22 ' A' ' 68' ' ' GLN . . . 169.37 -101.11 0.17 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -82.83 -10.93 58.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.577 ' OD1' ' NE2' ' A' ' 68' ' ' GLN . 25.8 p-10 -66.61 -20.33 65.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.888 HE22 ' N ' ' A' ' 65' ' ' GLY . 3.8 mp0 -64.19 -34.96 79.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.174 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.61 -40.6 69.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.763 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 70' ' ' LEU . 9.7 mp -64.82 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.511 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 m -57.2 -35.34 69.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.599 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -61.6 -38.2 86.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.783 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.19 -43.73 98.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 78' ' ' THR . 88.9 tttt -59.77 -44.46 93.86 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.444 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.97 -38.85 89.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.859 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.53 ' NE2' ' CE2' ' A' ' 5' ' ' PHE . 86.3 mt-30 -70.39 -49.05 53.05 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.243 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.43 -50.05 81.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.333 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 74' ' ' LYS . 8.1 t -62.72 -39.68 94.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 78' ' ' THR . 38.2 m -61.72 -35.9 79.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.567 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.28 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.645 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.0 mt -65.92 -28.98 69.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.486 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.29 14.44 62.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 84' ' ' GLU . 75.2 mt -65.71 -41.84 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.721 0.296 . . . . 0.0 110.567 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 83' ' ' LEU . 39.0 tp10 59.43 132.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.7 140.52 40.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.469 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -133.98 127.52 32.53 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.266 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -101.77 117.15 34.26 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.193 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -73.58 150.93 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.539 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -59.63 -42.07 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.449 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 45.8 t-80 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.267 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 ptm . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 4' ' ' ILE . . . -173.37 171.88 44.79 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -64.4 72.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.371 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 2' ' ' GLY . 88.7 mt -92.99 131.88 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.601 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -64.99 132.81 50.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 110.39 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -67.01 144.15 56.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.442 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 8' ' ' GLN . 9.1 p -64.28 -37.59 80.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' N ' HG13 ' A' ' 7' ' ' VAL . 56.1 tt0 -58.08 -45.51 87.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.603 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.39 -29.04 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -64.02 -37.14 86.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.485 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HZ2' HG22 ' A' ' 7' ' ' VAL . 64.2 mttp -59.1 -42.54 90.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -36.09 72.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.83 0.348 . . . . 0.0 110.475 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' O ' HG12 ' A' ' 16' ' ' VAL . 17.1 tpt180 -73.88 -39.38 63.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.655 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.15 -19.29 62.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.998 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -61.95 -8.43 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 13' ' ' ARG . 11.7 p -75.41 -33.84 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 90.4 t80 -113.69 140.47 48.21 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.428 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' O ' ' CD2' ' A' ' 17' ' ' PHE . . . -58.67 142.58 49.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -72.1 146.43 89.87 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.57 159.52 53.23 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.527 2.152 . . . . 0.0 112.177 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.12 155.12 7.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.447 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.01 -115.15 4.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.26 49.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.509 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -80.51 -14.82 57.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -73.18 -17.52 61.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.614 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.62 -37.06 80.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.591 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.5 -35.18 90.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.1 mm -69.52 -23.9 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.816 0.341 . . . . 0.0 110.72 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -93.28 -42.4 9.35 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.71 -43.6 98.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.678 ' N ' ' NE2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -63.96 -46.93 82.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 -179.359 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 28' ' ' ILE . 3.8 mm? -62.33 -40.78 97.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.055 0.455 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.89 -43.93 86.8 Favored 'General case' 0 C--N 1.311 -1.065 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.218 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' ALA . 56.4 tp -69.15 -49.75 54.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.251 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.71 -25.88 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.56 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -78.94 -43.53 24.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.394 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -85.14 -22.35 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.474 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -75.64 163.08 27.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.577 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.94 168.42 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.591 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.66 -145.9 39.4 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -68.49 -22.2 64.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 0.0 110.638 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.449 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 67.0 t0 -63.84 -35.07 79.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.384 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.18 -29.74 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.539 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.69 -42.91 96.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.312 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.12 82.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.627 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.04 93.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.492 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.8 p -62.4 -39.27 92.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.708 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.59 -46.01 91.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.465 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -66.3 -42.87 87.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.385 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 31' ' ' GLN . 38.4 mt -62.25 -39.87 94.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.613 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -58.47 -40.84 83.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.289 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -64.1 -44.95 90.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -65.14 -47.87 75.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.633 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.36 -45.69 85.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.432 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -64.45 -45.62 86.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.701 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -63.39 -39.73 95.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.636 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.48 -41.64 81.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.49 -43.99 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.435 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.69 80.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.535 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -71.62 -41.14 69.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -137.13 65.86 52.05 Favored Pre-proline 0 N--CA 1.466 0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.41 -22.88 15.74 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.726 2.284 . . . . 0.0 111.94 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.7 p -76.03 -24.76 55.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.5 t -70.21 139.71 52.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.35 -20.38 64.57 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.49 ' NE ' ' H ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -63.79 -34.96 79.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.712 0.292 . . . . 0.0 110.588 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 52.1 p-10 -58.28 -17.18 17.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.47 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 99.3 mm-40 -64.19 -40.7 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.82 -37.3 70.36 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.999 0.428 . . . . 0.0 110.414 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.65 -38.18 90.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.9 m -62.74 -22.71 66.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.677 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.04 -34.19 75.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.682 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.87 -39.14 93.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.741 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.96 -54.76 42.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.676 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.09 -33.98 76.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.663 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.49 -54.07 42.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.3 t -61.96 -44.9 99.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 m -59.35 -44.08 92.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.695 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.7 t -62.72 -39.15 93.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.03 -38.79 76.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.71 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.55 -29.72 69.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.658 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.46 16.3 64.5 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 85' ' ' HIS . 79.9 mt -65.62 -41.13 93.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.644 0.259 . . . . 0.0 110.751 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 57.49 -79.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.513 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 83' ' ' LEU . 95.5 m-70 -79.14 -99.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.671 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 87' ' ' HIS . 86.4 t60 -160.85 169.42 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.446 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.563 ' N ' ' CG ' ' A' ' 86' ' ' HIS . 4.4 p-80 -152.18 156.14 39.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.301 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' A' ' 89' ' ' HIS . 81.0 m80 -108.08 123.54 48.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 88' ' ' HIS . 69.1 m80 -157.65 -101.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.538 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.426 ' OXT' ' CG ' ' A' ' 90' ' ' HIS . 55.7 p-80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.556 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.657 ' N ' ' HB2' ' A' ' 46' ' ' ALA . . . 179.89 138.5 3.39 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.656 ' N ' HG22 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -148.09 -3.34 0.51 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.683 0.278 . . . . 0.0 110.943 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.665 ' O ' HG21 ' A' ' 35' ' ' VAL . 1.3 mp -81.69 162.07 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.065 0.46 . . . . 0.0 110.53 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.539 ' CD2' ' N ' ' A' ' 6' ' ' THR . 28.6 t80 -57.95 167.69 1.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.414 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.539 ' N ' ' CD2' ' A' ' 5' ' ' PHE . 10.1 m -61.33 158.31 14.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.627 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' LYS . 97.2 t -66.36 -22.06 29.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.739 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -54.26 -42.18 69.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -64.21 -48.35 76.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.18 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 10' ' ' LEU . 40.9 tp -71.38 -28.46 64.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.929 0.395 . . . . 0.0 110.624 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 7' ' ' VAL . 15.8 ttmm -59.63 -39.48 84.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.619 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.05 -44.76 95.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.58 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -68.3 -33.78 74.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.78 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.61 -8.52 52.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.568 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -51.45 -36.06 42.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 m -78.61 148.22 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.427 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.549 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 53.1 p90 -70.82 120.44 16.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.669 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 17' ' ' PHE . . . 175.57 66.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.133 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -96.52 114.71 64.91 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.444 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.22 145.14 45.15 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.562 2.175 . . . . 0.0 112.021 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.0 mm -70.51 151.52 9.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.97 12.78 67.71 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 41.09 42.16 1.53 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.832 0.349 . . . . 0.0 110.782 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.5 m -79.86 -16.56 55.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.563 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -78.01 -20.05 53.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.69 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.15 -41.4 99.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.562 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.75 -20.6 76.14 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.46 ' O ' HD13 ' A' ' 32' ' ' LEU . 4.3 mm -70.91 -27.15 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.708 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 mp -92.61 -19.41 21.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.44 -40.1 89.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.393 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -66.71 -35.9 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.712 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 28' ' ' ILE . 9.0 mp -61.89 -43.86 97.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.699 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.62 -31.56 72.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.966 0.412 . . . . 0.0 110.616 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 37' ' ' GLN . 76.4 mt -71.5 -21.97 61.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.665 HG21 ' O ' ' A' ' 4' ' ' ILE . 78.6 t -46.73 -23.84 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.553 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -87.46 -34.45 18.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.594 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' LEU . 87.6 mt-30 -82.08 -34.13 29.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.751 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.84 150.27 42.84 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 110.639 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.75 156.1 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.64 -129.14 48.2 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.38 -40.81 92.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.772 0.32 . . . . 0.0 110.51 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.62 -36.01 75.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.463 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.74 -51.26 51.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.715 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.38 -42.77 96.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.206 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.91 -38.63 57.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.601 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.657 ' HB2' ' N ' ' A' ' 2' ' ' GLY . . . -62.88 -35.57 80.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.382 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.547 ' OG ' HG11 ' A' ' 77' ' ' VAL . 27.3 t -62.65 -55.88 22.9 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.047 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -63.74 -29.26 70.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.758 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.15 -61.73 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.744 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.87 -31.81 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -42.06 -59.83 1.62 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -66.44 -36.05 81.82 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.139 179.075 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -61.13 -44.64 97.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.72 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.21 -47.5 87.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -65.16 -44.63 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 0.0 110.73 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.99 -40.96 91.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.726 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -58.97 -47.59 84.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.483 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.458 ' CD1' ' OG1' ' A' ' 71' ' ' THR . 97.8 mt -63.38 -42.21 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.347 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.79 -26.95 58.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.45 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -71.16 -41.08 70.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.523 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -139.27 66.67 37.99 Favored Pre-proline 0 N--CA 1.464 0.253 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.532 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.02 -11.63 25.5 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.885 2.39 . . . . 0.0 112.026 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -25.9 64.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.311 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.6 t -76.96 129.04 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.476 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.76 -35.14 79.37 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -63.86 -36.42 83.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.603 0.239 . . . . 0.0 110.639 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -60.72 -27.25 67.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.331 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -68.73 -23.27 64.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.012 0.434 . . . . 0.0 110.493 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.13 -24.15 60.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.756 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.8 mm? -63.06 -41.82 99.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.652 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.458 ' OG1' ' CD1' ' A' ' 58' ' ' ILE . 26.3 m -50.52 -22.07 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.41 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -62.2 -44.01 97.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.738 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 77' ' ' VAL . 10.9 mp -62.0 -40.06 94.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.386 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -55.01 -54.91 37.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.767 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 78' ' ' THR . 14.8 pt-20 -67.52 -25.19 65.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.958 0.408 . . . . 0.0 110.68 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -66.61 -32.56 73.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 73' ' ' LEU . 11.9 t -58.53 -45.54 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.818 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 75' ' ' GLU . 24.3 p -53.55 -39.77 65.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.368 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 m -64.94 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.161 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.05 71.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.2 -31.78 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 48.4 35.39 15.17 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.02 -30.91 64.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.676 0.274 . . . . 0.0 110.655 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -126.56 132.84 51.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.298 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -64.29 -43.96 93.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.43 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -86.53 166.13 15.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.53 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -77.54 154.97 31.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.635 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -76.77 140.69 40.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -75.26 149.9 38.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.598 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.5 t60 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.49 179.875 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.08 167.07 15.37 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -154.98 148.11 24.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 0.0 110.46 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 5' ' ' PHE . 96.6 mt -136.61 159.81 37.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.383 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.525 ' N ' HG22 ' A' ' 4' ' ' ILE . 18.4 m-85 -96.11 117.0 29.85 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.36 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.1 p -80.13 164.41 23.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.423 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.28 -29.0 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.64 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -57.21 -39.21 74.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.68 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' OE1' ' CD2' ' A' ' 5' ' ' PHE . 97.1 mt-10 -68.19 -40.65 82.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.603 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.1 mm? -64.87 -41.95 95.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.19 -43.74 98.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.4 -42.01 93.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -69.92 -35.09 74.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.703 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 16' ' ' VAL . . . -68.05 -10.33 52.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.438 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -51.74 -13.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.501 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' A' ' 14' ' ' ALA . 83.4 t -68.29 -42.4 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.392 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -126.69 157.17 39.74 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.453 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.0 122.21 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -48.49 148.3 3.55 Favored Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.937 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.59 146.04 78.16 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.66 2.24 . . . . 0.0 111.951 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' ' 23' ' ' ALA . 96.0 mt -78.37 154.92 5.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.603 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' N ' HG22 ' A' ' 21' ' ' ILE . . . -73.07 32.3 0.77 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 21' ' ' ILE . . . -74.82 -158.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.486 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.0 p -75.09 -18.64 60.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -76.16 -21.64 56.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -64.51 -17.19 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.438 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.57 -18.97 2.8 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mm -66.92 -41.86 88.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.645 0.259 . . . . 0.0 110.58 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.9 mp -89.24 -39.16 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.374 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.98 -47.4 80.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.628 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -61.12 -25.53 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.304 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.0 -42.72 98.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.183 0.516 . . . . 0.0 110.164 -179.742 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -62.87 -35.67 80.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.352 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.583 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.1 mp -63.65 -36.99 85.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.3 t -54.19 -24.4 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.583 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -83.76 -51.4 7.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.818 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -84.99 -4.01 58.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.028 0.442 . . . . 0.0 110.598 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -68.94 146.37 52.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.331 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 43' ' ' GLN . 2.7 mptp? -74.55 166.54 23.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.539 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.97 -61.18 4.06 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.63 -40.8 92.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.695 0.283 . . . . 0.0 110.526 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -67.23 -23.34 65.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.776 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 39' ' ' LYS . 57.3 tt0 -67.12 -36.26 81.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.315 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 44' ' ' ILE . 1.9 mp -66.0 -44.03 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.243 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.96 -41.19 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.401 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.38 96.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -63.85 -41.86 97.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.642 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.63 -43.37 93.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.39 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -66.9 -45.78 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.332 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.59 -37.48 86.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.632 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -55.85 -46.23 78.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.394 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.83 -46.6 81.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.045 0.45 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.91 -44.36 96.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.626 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.51 -45.14 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.636 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -63.66 -41.6 98.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.62 -45.43 90.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.41 -45.98 90.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.464 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -45.38 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.414 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.3 -32.8 74.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 45.6 tp10 -69.61 -41.58 75.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.499 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.41 ' ND1' ' O ' ' A' ' 60' ' ' GLU . 61.0 m-70 -142.35 67.63 20.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.696 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.33 -18.02 16.29 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.771 2.314 . . . . 0.0 111.979 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.2 p -85.56 -16.95 37.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.436 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.7 p -54.7 -102.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.744 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.07 -38.13 0.42 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -64.98 -35.69 81.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.733 0.302 . . . . 0.0 110.472 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 70' ' ' LEU . 92.0 m-20 -61.6 -30.97 71.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' O ' HG22 ' A' ' 71' ' ' THR . 98.4 mm-40 -46.89 -20.26 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.5 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' ASN . . . -84.37 -30.58 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.387 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' ASN . 97.5 mt -66.74 -39.3 87.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.784 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 68' ' ' GLN . 1.2 t -58.38 -28.71 65.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.637 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -61.45 -38.2 86.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.148 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 77' ' ' VAL . 15.2 mt -62.69 -40.14 96.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 78' ' ' THR . 88.1 tttt -56.83 -51.57 68.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.036 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.05 -36.01 77.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.993 0.425 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -66.75 -59.94 3.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 78' ' ' THR . 9.5 p -57.67 -43.45 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 74' ' ' LYS . 23.8 p -61.33 -40.51 94.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.7 m -62.01 -40.14 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.4 83.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.64 -32.66 74.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.32 55.08 2.97 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 83' ' ' LEU . 4.2 mm? -63.98 -40.19 95.83 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.697 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 56.2 mp0 -109.2 26.98 10.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.309 0.381 . . . . 0.0 110.141 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.483 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 60.0 t-80 -139.59 0.71 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.562 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' HIS . 58.3 t-80 -108.46 70.69 0.76 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.706 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.8 t60 58.77 -76.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.655 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -147.63 164.67 32.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.636 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -151.36 163.7 38.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.499 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.553 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.0 mtp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.9 -63.07 0.09 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.34 -37.01 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.311 . . . . 0.0 110.644 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt -91.95 130.68 40.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.485 ' CD1' ' NH2' ' A' ' 13' ' ' ARG . 78.5 m-85 -70.32 134.49 47.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.391 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 p -80.64 158.15 25.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.461 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 8' ' ' GLN . 5.3 p -63.56 -45.53 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.647 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.49 ' N ' HG13 ' A' ' 7' ' ' VAL . 5.3 tm0? -58.05 -46.3 85.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.783 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.05 -35.74 78.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 29' ' ' LEU . 45.7 tp -63.97 -38.75 92.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.498 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -57.49 -35.91 70.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -58.43 -56.73 18.39 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.562 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 90.2 mtm180 -70.69 -38.29 73.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.639 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.46 -8.74 57.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.579 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' O ' ' A' ' 16' ' ' VAL . 65.8 tttm -55.15 -47.26 75.38 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.901 -178.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.877 HG22 ' H ' ' A' ' 17' ' ' PHE . 11.2 p 43.08 -177.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.048 0.452 . . . . 0.0 110.835 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.877 ' H ' HG22 ' A' ' 16' ' ' VAL . 91.1 m-85 -79.07 142.93 36.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.99 137.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -82.17 145.85 53.53 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.875 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.36 143.22 57.35 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 122.348 2.032 . . . . 0.0 111.912 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.755 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -90.88 144.31 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.356 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.19 143.86 4.62 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.48 7.75 6.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.729 0.299 . . . . 0.0 110.688 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.6 p -75.8 -14.83 60.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -69.06 -34.59 75.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -62.38 -17.12 58.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.777 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.04 -39.08 40.27 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.41 ' O ' HD23 ' A' ' 32' ' ' LEU . 96.7 mt -71.06 -24.29 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.654 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' CD2' HD23 ' A' ' 10' ' ' LEU . 45.3 mt -92.21 -29.22 16.56 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.585 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.1 -36.0 80.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.671 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.67 -32.27 73.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.014 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.0 mm? -62.32 -38.69 90.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.24 0.543 . . . . 0.0 109.826 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' OD1' ' OE1' ' A' ' 37' ' ' GLN . 63.8 t0 -63.02 -44.02 97.12 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.067 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.0 mp -69.48 -49.32 55.88 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.852 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 p -59.49 -26.36 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.299 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -80.51 -45.53 17.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.986 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' OE1' ' OD1' ' A' ' 33' ' ' ASP . 87.4 mt-30 -85.71 -14.81 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.662 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -75.51 162.05 28.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.701 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -161.62 140.32 9.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.473 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.29 -124.57 11.21 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 35.6 ptt180 -60.26 -37.32 80.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 111.03 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 91.0 m-20 -64.47 -35.78 82.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.473 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.82 -39.88 87.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.642 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -42.78 96.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.498 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.8 64.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.79 97.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.093 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 m -62.46 -46.36 88.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.007 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -62.95 -47.24 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -67.45 -46.02 74.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.79 -40.93 89.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -55.25 -53.65 53.37 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.394 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -36.93 80.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 0.0 110.215 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.23 -45.66 92.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.301 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.7 mt -67.28 -44.68 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.396 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -62.2 -41.0 97.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.582 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.6 -41.25 98.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.563 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -59.31 -46.38 88.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.44 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.9 -42.9 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.251 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.8 -34.41 71.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.496 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.55 -39.41 70.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.825 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -134.85 67.65 70.58 Favored Pre-proline 0 N--CA 1.467 0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.14 -12.91 19.28 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.863 2.375 . . . . 0.0 112.051 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -90.83 -9.47 46.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.501 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.425 ' OG ' ' OD1' ' A' ' 67' ' ' ASN . 56.4 p -54.82 -104.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.486 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.95 -45.05 0.62 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.507 ' NH2' ' O ' ' A' ' 13' ' ' ARG . 7.9 tpt180 -67.95 -16.73 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.59 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.622 HD22 ' N ' ' A' ' 67' ' ' ASN . 1.2 m120 -61.93 -24.2 66.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.405 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -48.53 -22.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.15 -25.78 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.429 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' ASN . 90.7 mt -68.86 -41.13 78.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -62.24 -20.71 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.05 -38.71 92.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.668 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.15 -41.13 99.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.25 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -57.13 -49.52 75.66 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.22 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.49 -34.6 77.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.594 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -63.69 -55.04 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.69 -47.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.443 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 m -60.87 -45.38 94.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.738 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.8 t -64.45 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.525 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.7 -48.8 72.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.656 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.7 mt -66.32 -30.46 70.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.503 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.14 18.54 71.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.471 ' O ' ' O ' ' A' ' 84' ' ' GLU . 65.0 mt -65.08 -42.0 94.52 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.656 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 83' ' ' LEU . 82.5 tt0 58.53 126.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.272 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.457 ' O ' ' O ' ' A' ' 84' ' ' GLU . 45.1 t-80 57.41 123.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.028 0.442 . . . . 0.0 110.655 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -72.26 143.7 48.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -88.11 78.33 8.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.366 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.491 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 1.8 t60 -66.44 -42.13 88.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.61 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.491 ' NE2' ' CE1' ' A' ' 88' ' ' HIS . 97.7 m-70 -147.54 160.38 42.69 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 80.0 m80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.534 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.21 162.78 33.48 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 44.78 -102.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.599 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.7 mt -88.24 133.04 31.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -64.6 135.73 56.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.26 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 m -77.81 143.66 37.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.316 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 8' ' ' GLN . 7.7 p -64.21 -47.42 90.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.975 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.563 ' N ' HG13 ' A' ' 7' ' ' VAL . 41.4 mm-40 -55.94 -31.56 63.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.737 0.303 . . . . 0.0 110.753 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -68.46 -61.36 1.87 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.432 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.73 -37.84 79.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 7' ' ' VAL . 63.9 tttp -58.22 -48.82 79.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.802 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.51 -43.77 89.04 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.954 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -70.03 -40.72 75.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.585 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.46 81.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.22 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 17' ' ' PHE . 34.4 mmtm -63.3 -39.97 96.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.4 t 55.94 -77.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.452 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' N ' ' O ' ' A' ' 15' ' ' LYS . 80.0 t80 -71.77 170.54 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.56 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.524 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -49.03 140.52 9.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.415 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.496 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -67.02 121.01 76.2 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.955 -178.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.63 151.26 36.58 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.997 1.798 . . . . 0.0 112.214 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 21' ' ' ILE . 19.4 tt -91.68 127.68 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.265 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -166.26 -32.74 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 76.46 -29.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.467 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 22' ' ' GLY . 70.5 p -73.52 -25.48 60.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.683 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.411 ' O ' HG22 ' A' ' 28' ' ' ILE . 98.2 m-85 -75.8 -22.07 56.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.638 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -65.2 -20.38 66.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.81 -22.09 11.26 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 25' ' ' TYR . 20.4 tt -68.22 -24.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -90.68 -28.47 18.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.575 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -59.16 -47.88 83.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.458 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.47 ' NE2' ' CD ' ' A' ' 49' ' ' GLU . 8.2 tp-100 -66.68 -46.56 75.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.8 -43.18 99.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.513 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 54.5 t0 -62.69 -36.79 84.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.346 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.6 tp -62.83 -37.65 87.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.553 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.26 -30.02 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.264 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -78.26 -41.83 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -84.05 -19.8 33.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.613 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -78.81 164.89 24.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -163.09 139.07 6.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.58 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.75 -122.28 13.67 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -61.76 -40.69 96.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.929 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 65.1 t0 -62.93 -37.08 85.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.552 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -66.14 -41.05 90.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 0.0 110.486 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.11 -42.71 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.627 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.62 -41.84 64.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.52 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.94 92.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.951 0.405 . . . . 0.0 110.273 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.0 t -62.16 -44.24 97.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.96 -46.56 87.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CD ' ' NE2' ' A' ' 31' ' ' GLN . 80.7 tt0 -67.42 -40.52 85.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.872 0.367 . . . . 0.0 110.503 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.88 -35.69 79.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.351 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -57.28 -45.95 83.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.654 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -66.01 -40.32 91.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.124 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.57 -51.01 71.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.999 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 98.0 mt -68.32 -44.56 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.96 0.409 . . . . 0.0 110.303 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -62.19 -44.52 96.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.16 -41.09 97.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.46 ' CD2' HD22 ' A' ' 70' ' ' LEU . 75.7 t80 -59.49 -41.98 91.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.343 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.53 -43.66 98.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.348 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 -27.42 67.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.492 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -72.04 -40.46 68.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -137.37 65.54 49.53 Favored Pre-proline 0 N--CA 1.468 0.449 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.604 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.86 -15.74 26.4 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.702 2.268 . . . . 0.0 111.842 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.4 t -80.94 -25.07 37.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.8 p -80.79 151.17 28.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.396 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.89 -12.36 52.95 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.5 tpt85 -61.88 -36.31 80.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.348 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.696 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -60.65 -34.78 74.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.555 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -44.54 -23.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.22 -47.25 44.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.6 mp -64.53 -38.69 91.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.236 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.3 m -52.43 -42.43 64.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.1 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' O ' ' OE2' ' A' ' 75' ' ' GLU . 94.2 mm-40 -62.68 -31.17 72.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.366 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.568 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -64.94 -39.38 93.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.059 0.456 . . . . 0.0 109.877 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.57 -56.23 23.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.497 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 72' ' ' GLN . 2.9 pp20? -66.51 -24.75 66.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.642 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -63.19 -51.11 67.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.93 -46.38 96.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.832 0.349 . . . . 0.0 110.505 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.7 p -62.03 -33.48 74.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.656 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.4 t -62.62 -43.92 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.505 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.59 85.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.48 -31.58 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 47.49 54.59 10.42 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.989 HD13 ' H ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -73.97 -5.99 44.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.514 179.502 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.523 ' N ' HD22 ' A' ' 83' ' ' LEU . 81.1 tt0 59.25 111.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.42 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -76.47 142.15 41.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.384 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -100.56 132.24 46.05 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.419 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -50.06 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.567 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 83.1 t60 41.66 89.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -145.99 138.85 25.73 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.582 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.56 -36.17 93.0 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 47.98 71.74 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.387 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.1 mt -91.56 131.25 39.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.499 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -69.2 132.18 46.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 7' ' ' VAL . 25.1 m -83.4 160.62 21.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.561 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.672 HG13 HD22 ' A' ' 29' ' ' LEU . 72.3 t -64.07 -43.33 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.621 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -54.95 -41.23 70.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.58 -33.35 73.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.918 0.39 . . . . 0.0 110.76 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.17 -18.11 64.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.871 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -54.97 -39.39 68.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.379 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -64.23 -42.07 96.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.374 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -70.18 -35.73 74.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.477 ' C ' ' H ' ' A' ' 16' ' ' VAL . . . -69.89 -10.56 58.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.551 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -51.12 -10.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.397 . . . . 0.0 110.325 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 14' ' ' ALA . 80.1 t -79.78 133.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.379 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -90.62 117.78 29.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.458 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 178.35 65.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.775 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' HZ2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -78.81 115.98 56.26 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.99 -179.627 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -75.26 163.95 33.8 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.326 2.017 . . . . 0.0 112.408 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 mm -60.37 144.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.05 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.38 -129.56 9.57 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.72 48.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.601 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.3 m -79.84 -15.71 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.629 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -70.55 -39.55 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.51 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -63.61 -36.66 84.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.53 ' O ' ' NE2' ' A' ' 31' ' ' GLN . . . -59.61 -28.64 65.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.8 mt -68.52 -24.01 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 110.483 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.672 HD22 HG13 ' A' ' 7' ' ' VAL . 88.1 mt -90.21 -40.57 12.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.561 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.35 -44.36 97.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -64.59 -34.92 79.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.742 -179.642 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.543 ' O ' HG12 ' A' ' 35' ' ' VAL . 19.8 mt -60.16 -32.9 71.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.087 0.47 . . . . 0.0 109.868 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -71.98 -48.65 43.42 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.805 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.9 mp -66.01 -42.24 89.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.761 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 32' ' ' LEU . 1.3 p -53.01 -25.69 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.929 0.395 . . . . 0.0 110.151 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -80.73 -43.93 19.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.38 -14.19 50.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -76.4 163.19 27.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -165.03 140.47 5.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.765 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.19 -125.49 7.2 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.14 -36.55 82.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.768 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.84 -39.78 95.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 2.7 mm-40 -66.51 -44.07 83.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.38 -43.55 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.464 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' OE1' ' A' ' 49' ' ' GLU . . . -58.75 -41.8 87.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.709 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.88 97.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.6 p -62.0 -31.28 71.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.686 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.79 -44.58 93.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.645 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 45' ' ' ALA . 5.6 mp0 -66.32 -53.09 40.44 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.705 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 50' ' ' LEU . 4.0 mm? -61.8 -42.38 98.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.858 0.361 . . . . 0.0 110.709 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.18 -45.8 93.14 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.424 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -67.37 -47.5 70.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.625 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.64 -47.41 83.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.637 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.74 -45.02 85.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.549 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.11 -45.88 89.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.995 0.426 . . . . 0.0 110.643 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -66.31 -38.22 87.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -58.15 -43.39 87.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.387 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.08 -44.62 99.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.447 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.9 92.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -71.11 -40.63 71.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -136.86 68.31 57.93 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.656 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.1 -14.89 20.79 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.642 2.228 . . . . 0.0 111.951 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.1 p -98.77 2.92 47.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.655 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.6 t -61.37 -43.9 98.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' A' ' 68' ' ' GLN . . . 88.62 -29.12 5.93 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -79.42 -18.15 52.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 49.0 p30 -63.24 -16.86 61.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.701 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.51 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 8.7 mp0 -55.63 -23.03 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.054 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.05 -43.43 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.845 0.355 . . . . 0.0 110.42 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.6 mp -64.35 -42.8 96.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 68' ' ' GLN . 1.7 t -55.18 -28.61 54.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.328 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -64.03 -40.56 96.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.359 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.03 -42.14 97.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.646 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -57.15 -53.71 55.07 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.07 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -67.65 -34.24 76.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.668 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -52.44 64.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.779 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.27 -49.2 85.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.52 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.1 p -62.65 -43.13 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.734 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.1 p -64.91 -37.89 89.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.738 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.34 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt -68.17 -30.25 69.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.647 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.63 30.59 78.33 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 84' ' ' GLU . 2.1 pp -71.68 -20.5 61.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.61 0.243 . . . . 0.0 110.785 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 83' ' ' LEU . 81.7 tt0 58.92 122.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -46.68 152.47 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.298 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.499 ' CE1' ' O ' ' A' ' 88' ' ' HIS . 0.0 OUTLIER -151.22 155.79 39.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 -179.875 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -66.63 -39.47 88.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.499 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 97.7 m-70 -74.11 134.6 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.494 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -65.74 -42.95 90.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.661 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.609 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.8 9.87 86.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' A' ' 76' ' ' GLN . 87.7 mt-30 53.69 -169.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.293 . . . . 0.0 110.572 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.2 130.46 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -70.06 123.72 22.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.427 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 p -83.29 165.69 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.626 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.0 t -62.11 -47.08 94.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.694 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -56.91 -41.34 77.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -65.02 -49.13 71.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.617 HD23 HD11 ' A' ' 29' ' ' LEU . 4.5 tp -70.22 -20.3 63.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -58.34 -44.24 88.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.465 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.03 -46.34 84.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.644 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 16' ' ' VAL . 92.7 mtt-85 -70.31 -37.34 74.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.713 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.88 -11.94 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.635 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' VAL . 64.4 tttp -64.32 -45.31 88.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.68 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LYS . 35.0 m 34.1 -143.48 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.417 0.448 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -145.75 156.25 43.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.928 0.394 . . . . 0.0 110.674 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.19 58.6 5.3 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.352 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.67 112.68 65.36 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.432 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.98 142.21 65.49 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.439 2.093 . . . . 0.0 112.017 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.5 pt -84.64 145.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.619 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.47 -128.36 0.94 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.38 -19.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.594 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.8 p -79.75 -15.73 56.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -70.92 -44.61 65.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.638 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -66.66 -29.33 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.33 -33.7 85.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.409 ' O ' HD13 ' A' ' 32' ' ' LEU . 97.0 mt -70.13 -23.89 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.617 HD11 HD23 ' A' ' 10' ' ' LEU . 4.0 mm? -91.96 -38.51 12.22 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.546 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.19 -26.57 67.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -67.49 -35.09 78.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.631 ' O ' HG12 ' A' ' 35' ' ' VAL . 9.2 mp -61.28 -44.23 97.58 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.426 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.98 -38.63 91.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.985 0.421 . . . . 0.0 110.629 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.45 -18.98 62.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.776 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 32' ' ' LEU . 1.4 p -55.53 -27.54 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.522 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -85.48 -34.2 21.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.215 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -82.0 -25.29 34.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.63 140.03 49.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.47 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.518 ' HG2' ' H ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -77.66 -179.93 6.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.55 -25.21 34.3 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -83.96 -60.59 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.751 0.31 . . . . 0.0 110.851 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.518 ' H ' ' HG2' ' A' ' 39' ' ' LYS . 38.8 t0 -64.39 -33.25 75.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 58.1 tt0 -61.91 -44.31 97.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.81 -43.66 93.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.465 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.87 -29.12 68.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.67 98.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.343 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.4 t -64.65 -43.47 93.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -61.85 -39.0 90.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.415 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.83 -52.96 57.78 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.724 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.5 mp -68.98 -21.57 64.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.018 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -50.3 -57.23 8.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.263 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -66.41 -40.17 89.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.009 -179.449 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.35 -46.59 88.0 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.3 mt -67.03 -46.04 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -63.68 -40.95 98.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.998 0.428 . . . . 0.0 110.799 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.89 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.389 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -48.93 79.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 58' ' ' ILE . 3.5 mp -65.26 -43.86 95.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.492 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.88 99.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -73.91 -38.26 64.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -134.56 66.97 71.14 Favored Pre-proline 0 N--CA 1.463 0.209 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.719 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ILE . 54.0 Cg_endo -72.73 -22.97 19.87 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.671 2.248 . . . . 0.0 112.014 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.0 m -69.74 -24.14 63.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.452 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -77.83 107.14 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.604 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.45 -33.83 88.28 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -59.61 -35.11 73.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.351 . . . . 0.0 110.6 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 69' ' ' ALA . 1.5 t-20 -60.99 -38.75 87.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.451 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -45.64 -20.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.479 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' ASN . . . -69.73 -33.09 71.99 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.46 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.8 mm? -64.36 -35.62 81.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.574 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.8 m -61.26 -28.41 69.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.759 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.19 -31.43 71.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.599 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 mt -61.17 -41.49 96.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -59.17 -43.69 92.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.344 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.84 -42.58 85.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.586 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' A' ' 1' ' ' MET . 98.7 mm-40 -63.81 -54.8 29.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.608 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.48 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.433 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.5 m -61.19 -46.84 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.5 m -63.5 -37.85 88.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.63 84.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.82 -32.69 74.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.74 55.42 2.99 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.618 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 83' ' ' LEU . 4.2 mm? -63.99 -40.68 96.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.726 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -118.66 89.38 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.477 0.486 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -59.8 -43.89 94.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.524 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -91.14 171.63 9.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -147.1 157.71 43.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.496 ' O ' ' CD2' ' A' ' 88' ' ' HIS . 50.8 p-80 -103.45 116.21 31.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.361 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.436 ' CE1' ' OXT' ' A' ' 90' ' ' HIS . 58.2 t-80 -165.9 127.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.521 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.436 ' OXT' ' CE1' ' A' ' 89' ' ' HIS . 86.3 t60 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.42 -1.93 83.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 24.1 mp0 56.08 54.23 8.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.763 0.316 . . . . 0.0 110.623 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.5 mm -91.78 135.41 27.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.746 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -61.13 138.27 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.32 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 7' ' ' VAL . 24.1 m -79.62 158.38 27.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.616 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.459 ' N ' HG22 ' A' ' 6' ' ' THR . 79.8 t -64.05 -42.81 96.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.797 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -45.72 -35.82 4.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.703 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.43 -40.46 85.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.0 mm? -66.83 -36.99 83.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.744 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -59.16 -40.54 85.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.541 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.34 -44.87 93.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.418 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 16' ' ' VAL . 33.8 mmt180 -68.99 -35.96 77.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.68 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.2 -8.93 56.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.578 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -54.13 -31.01 51.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.472 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 13' ' ' ARG . 11.6 m -78.02 135.93 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -71.73 141.49 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.07 -73.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -88.98 157.87 47.9 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.764 -179.647 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -50.41 144.5 24.1 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.214 1.943 . . . . 0.0 112.123 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.3 mm -76.05 130.84 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.465 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 24' ' ' SER . . . 82.1 179.45 52.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 61.29 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.494 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 22' ' ' GLY . 37.5 m -75.65 -33.04 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -69.23 -44.97 70.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 110.48 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -70.72 -37.09 73.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.03 -49.46 40.85 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 24' ' ' SER . 3.6 tp -69.49 -25.07 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.172 0.511 . . . . 0.0 110.671 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tt -89.65 -45.94 8.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.912 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 67.9 t0 -63.46 -37.77 88.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.756 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.02 -35.56 73.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.632 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.43 -39.3 90.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.85 0.357 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.15 -40.37 93.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.899 0.38 . . . . 0.0 110.208 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 34' ' ' LEU . 4.2 mm? -64.65 -38.13 89.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.756 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.9 t -54.9 -22.6 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -81.46 -46.97 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.796 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -83.13 -21.25 33.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.702 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -74.84 141.38 44.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -142.74 145.17 33.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.143 0.496 . . . . 0.0 110.663 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.37 -126.77 19.77 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -42.71 93.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.194 0.521 . . . . 0.0 110.618 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -56.36 -44.24 79.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.408 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -67.13 -39.56 86.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.374 . . . . 0.0 110.588 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.07 -42.95 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.503 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.47 -42.34 70.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.02 93.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.183 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -63.22 -44.87 94.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.78 -44.23 97.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -65.92 -51.72 56.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.04 -35.1 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.537 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 29.5 t30 -51.87 -42.06 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -63.47 -45.12 92.24 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.791 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' CD ' ' N ' ' A' ' 53' ' ' LYS . 10.9 mptt -64.64 -44.68 89.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.564 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.47 -45.85 88.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.451 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.537 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 62.6 m-20 -63.43 -42.75 98.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.462 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 66.4 t0 -64.86 -38.38 90.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.582 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD2' HD12 ' A' ' 70' ' ' LEU . 41.7 t80 -56.99 -38.24 72.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.345 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.95 -43.82 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.331 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.38 75.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.87 -14.37 62.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.503 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.524 ' CD2' ' OG1' ' A' ' 63' ' ' THR . 8.5 t-160 -135.63 71.33 65.2 Favored Pre-proline 0 N--CA 1.464 0.226 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.324 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -53.61 -37.05 82.96 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.786 2.324 . . . . 0.0 112.184 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.524 ' OG1' ' CD2' ' A' ' 61' ' ' HIS . 34.0 p -69.68 -15.71 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.481 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m 68.48 -177.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 135.7 -80.79 0.3 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.9 mmt-85 -79.74 -10.76 59.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.799 0.333 . . . . 0.0 110.674 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' ALA . 4.5 m120 -62.56 -38.65 90.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -44.35 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.624 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ASN . . . -82.36 -61.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.646 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 57' ' ' TYR . 66.4 mt -65.26 -41.61 94.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 84.4 m -59.67 -44.82 93.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.13 -27.53 69.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.711 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.568 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.3 tt -61.97 -42.38 99.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.019 0.438 . . . . 0.0 110.142 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.41 -47.32 86.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.625 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.05 -34.46 74.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.442 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' A' ' 3' ' ' GLN . 51.6 tt0 -64.02 -55.64 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.53 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.35 -44.79 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.372 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.1 m -60.21 -42.99 96.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.644 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.5 t -62.03 -39.7 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.429 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.53 -40.59 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -66.31 -30.96 71.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.759 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.64 28.43 65.34 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.83 -41.25 95.9 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.697 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 56.13 -173.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.535 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -81.57 -111.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -154.75 150.54 27.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.303 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -96.27 128.64 43.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.454 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -153.73 151.36 29.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.464 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.5 m80 42.44 73.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 90' ' ' HIS . 52.7 t-80 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.502 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.588 ' HB2' HG13 ' A' ' 77' ' ' VAL . 66.2 mtt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.88 ' O ' HG11 ' A' ' 77' ' ' VAL . . . -102.96 -96.72 2.37 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' CA ' HG21 ' A' ' 77' ' ' VAL . 1.2 tp60 -141.4 23.35 2.16 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.705 0.288 . . . . 0.0 110.502 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.697 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.5 pp -137.42 161.46 34.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.19 0.519 . . . . 0.0 111.218 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CD2' ' N ' ' A' ' 6' ' ' THR . 59.7 t80 -108.14 171.33 7.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.693 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.568 ' N ' ' CD2' ' A' ' 5' ' ' PHE . 4.5 m -57.37 147.91 24.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 11' ' ' LYS . 7.8 m -61.77 -23.92 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.674 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -52.17 -43.88 64.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.685 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -69.58 -47.08 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 14' ' ' ALA . 4.8 tp -71.27 -21.29 62.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' VAL . 29.3 ttmt -57.72 -45.94 85.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.693 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -66.29 -45.44 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.815 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -76.21 -23.3 54.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -74.55 -10.39 59.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.738 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.7 tttt -62.78 -45.64 91.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.681 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' LYS . 33.1 m 34.37 -148.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 123.353 0.408 . . . . 0.0 110.715 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.68 147.24 26.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.028 0.442 . . . . 0.0 110.614 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.13 -168.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.435 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -90.96 160.73 37.26 Favored Pre-proline 0 N--CA 1.452 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.617 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.61 144.73 91.92 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.497 2.131 . . . . 0.0 112.225 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.92 134.18 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.653 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.17 -132.63 12.98 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.82 13.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -80.04 -15.98 56.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -74.61 -28.57 60.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -64.71 -38.7 91.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.64 -41.04 97.19 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.5 mt -69.72 -23.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.698 0.285 . . . . 0.0 110.482 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -90.48 -22.44 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 110.49 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.76 -37.08 86.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -63.16 -32.88 74.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' O ' HG12 ' A' ' 35' ' ' VAL . 11.1 mp -60.59 -36.39 78.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.201 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -69.83 -48.02 60.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.069 0.461 . . . . 0.0 110.611 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' GLN . 4.0 mm? -64.86 -44.88 88.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.706 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -45.68 -24.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.582 -178.566 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.72 -35.02 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.946 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 58.2 tt0 -83.16 -19.06 37.32 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.202 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.68 140.75 53.62 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.833 0.349 . . . . 0.0 110.474 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -143.26 146.48 33.66 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.27 -127.5 14.59 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -67.74 -19.89 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.718 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -63.78 -38.96 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.523 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -66.48 -40.74 89.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.702 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.07 -42.38 95.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.121 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.31 59.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.327 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -22.76 66.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.265 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.425 ' HA ' ' C ' ' A' ' 2' ' ' GLY . 2.6 t -65.4 -55.23 19.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.08 -34.07 77.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.94 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -62.95 -63.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.345 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.8 mm? -63.54 -31.23 72.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -51.77 -61.09 2.47 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.232 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -67.0 -37.2 83.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.345 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.81 -48.02 80.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.775 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.27 -44.47 94.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.453 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -63.15 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.458 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.87 -41.68 99.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.534 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -61.09 -36.6 80.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.698 HD11 ' OG1' ' A' ' 71' ' ' THR . 96.4 mt -62.09 -43.28 97.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.103 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.8 81.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -74.0 -4.1 33.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.484 ' CG ' ' OD1' ' A' ' 67' ' ' ASN . 13.4 m80 -135.0 68.7 70.76 Favored Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -72.9 -12.43 26.17 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.679 2.252 . . . . 0.0 111.902 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.416 ' O ' ' CB ' ' A' ' 64' ' ' SER . 17.5 p -95.27 2.42 54.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.206 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 63' ' ' THR . 0.7 OUTLIER 77.02 151.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.522 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.53 -146.66 10.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -59.64 -32.03 70.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.781 0.324 . . . . 0.0 110.615 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.484 ' OD1' ' CG ' ' A' ' 61' ' ' HIS . 6.5 m120 -61.98 -39.82 93.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.396 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -53.11 -38.85 62.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.414 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.21 66.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.334 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.97 -40.0 94.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.479 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.698 ' OG1' HD11 ' A' ' 58' ' ' ILE . 24.5 m -54.22 -23.06 13.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.433 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -65.5 -38.08 88.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.693 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.54 -23.16 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.712 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.81 -45.79 88.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.029 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.76 -21.92 61.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.265 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -57.84 -60.32 3.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.88 HG11 ' O ' ' A' ' 2' ' ' GLY . 61.1 t -57.85 -41.45 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.743 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.4 m -43.48 -45.68 6.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.336 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.4 t -72.88 -33.9 66.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.909 0.385 . . . . 0.0 110.401 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -59.58 -50.82 72.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.554 HD21 ' N ' ' A' ' 1' ' ' MET . 59.4 mt -67.47 -31.64 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.32 12.73 61.06 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.3 -41.72 93.82 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.753 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 55.61 20.74 4.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.702 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -90.75 123.6 34.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -160.4 40.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.529 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.83 -44.14 90.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.428 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.648 ' CG ' ' H ' ' A' ' 89' ' ' HIS . 34.7 t-80 58.04 -179.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.648 ' H ' ' CG ' ' A' ' 88' ' ' HIS . 53.2 t-80 54.59 -105.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.624 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.51 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 85.6 t60 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.579 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.9 mm . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.773 0.321 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.574 ' HB2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -61.52 130.06 44.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 0.0 110.696 -179.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 m -80.51 145.48 31.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.995 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.27 -46.89 95.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -61.51 -40.7 95.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.908 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -66.39 -36.84 83.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.442 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD23 ' CD2' ' A' ' 29' ' ' LEU . 46.7 tp -64.46 -38.96 92.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.46 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.53 -37.18 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.739 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.98 -55.66 31.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.696 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.569 ' NH2' ' CB ' ' A' ' 69' ' ' ALA . 83.1 mtp180 -70.47 -37.63 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.619 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.56 -9.77 58.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.809 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' PHE . 88.8 tttt -58.85 -45.42 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.55 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.3 t 45.88 -87.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 15' ' ' LYS . 78.2 t80 -134.1 141.49 47.16 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.182 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.05 112.65 0.46 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -134.31 154.27 79.83 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.732 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -53.71 147.3 40.77 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 121.878 1.719 . . . . 0.0 112.381 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.7 mt -79.17 130.22 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.338 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -70.7 -39.79 66.27 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 76.18 -67.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.667 0.27 . . . . 0.0 110.527 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 t -78.14 -20.26 52.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.782 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -75.06 -17.19 60.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.67 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -55.42 -16.34 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.19 -24.38 28.73 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.2 tt -69.5 -23.24 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD2' HD23 ' A' ' 10' ' ' LEU . 40.0 mt -89.35 -31.09 17.95 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.365 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.02 -26.0 68.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.228 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.88 -38.02 89.53 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.692 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 35' ' ' VAL . 8.0 mp -61.35 -49.62 76.2 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.429 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.69 -38.8 64.75 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' HIS . 38.8 tp -62.42 -40.72 97.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.871 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.793 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.5 p -42.73 -19.28 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.156 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 34' ' ' LEU . 80.3 m80 -75.26 -11.57 60.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.675 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -85.06 -36.7 21.04 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.876 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 43' ' ' GLN . . . -76.65 152.54 35.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 36' ' ' HIS . 43.2 mmtm -147.76 157.17 43.41 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 110.196 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.45 -167.9 37.74 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 9.5 ptm180 -66.08 -22.72 66.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.843 0.354 . . . . 0.0 110.702 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.05 -35.45 80.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.906 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.555 HE21 HG22 ' A' ' 35' ' ' VAL . 59.7 tt0 -65.47 -55.21 19.17 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.078 0.465 . . . . 0.0 110.552 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 47' ' ' SER . 48.3 mt -71.85 -42.28 69.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.878 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 41' ' ' ARG . . . -50.67 -32.6 19.69 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.824 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -60.25 -31.1 69.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 44' ' ' ILE . 60.2 p -55.13 -34.33 63.65 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.709 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -79.77 -18.15 51.73 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.09 -66.42 0.56 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.81 -21.14 64.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.9 0.381 . . . . 0.0 110.971 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -40.37 -58.55 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.203 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -65.56 -42.32 91.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.981 0.419 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -62.98 -31.47 72.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.262 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.612 HG22 HG23 ' A' ' 71' ' ' THR . 5.6 mt -63.9 -24.84 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -49.8 -19.94 0.76 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.123 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.29 -37.75 88.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.631 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CE2' ' NZ ' ' A' ' 74' ' ' LYS . 37.7 m-85 -55.94 -43.01 77.04 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.735 HD11 HG21 ' A' ' 71' ' ' THR . 91.7 mt -63.56 -43.56 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.562 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.25 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.717 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.99 -41.33 71.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -138.25 65.28 42.24 Favored Pre-proline 0 N--CA 1.467 0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.58 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.85 -19.18 21.16 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.583 2.189 . . . . 0.0 112.109 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.4 p -73.29 -25.8 60.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.688 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.8 t -83.12 138.88 33.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.62 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.21 -14.56 74.16 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -65.16 -35.47 81.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.5 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -53.86 -34.78 60.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.195 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.99 -41.24 74.51 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.504 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.569 ' CB ' ' NH2' ' A' ' 13' ' ' ARG . . . -75.17 -48.84 21.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 70' ' ' LEU . 9.1 mp -62.45 -43.93 97.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.647 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.735 HG21 HD11 ' A' ' 58' ' ' ILE . 25.0 m -60.87 -53.17 60.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.824 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -69.1 -42.18 76.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.451 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 73' ' ' LEU . 3.1 tm? -66.03 -55.84 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.422 -0.511 . . . . 0.0 112.014 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' N ' HD13 ' A' ' 73' ' ' LEU . 40.4 mtmt -61.14 -38.87 87.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.275 0.56 . . . . 0.0 109.521 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 54' ' ' ILE . 3.6 tm-20 -53.15 -27.51 21.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.743 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -73.31 -68.58 0.48 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.716 HG13 ' N ' ' A' ' 78' ' ' THR . 13.8 p -87.67 -55.03 6.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.716 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -46.56 -41.65 14.68 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 121.116 -0.99 . . . . 0.0 108.707 -176.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.605 ' O ' ' N ' ' A' ' 81' ' ' LEU . 16.0 m -69.11 -31.37 70.04 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.016 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.824 ' O ' ' HB3' ' A' ' 46' ' ' ALA . . . -46.49 -5.81 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.122 0.264 . . . . 0.0 111.39 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 35' ' ' VAL . 85.6 mt . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 4' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 121.087 0.47 . . . . 0.0 110.745 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -58.03 165.3 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.266 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.6 p -74.24 155.76 37.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.13 0.491 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.3 m -67.26 -21.85 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.699 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -49.18 -46.14 45.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.73 -38.34 76.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.9 0.381 . . . . 0.0 110.482 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.24 -41.4 94.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.753 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.67 -40.99 94.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.632 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.07 -50.92 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.747 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -70.91 -37.88 72.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -9.85 58.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.675 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 ttpm? -57.02 -46.11 82.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.652 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 17' ' ' PHE . 21.8 t 39.66 -107.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.606 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' N ' HG12 ' A' ' 16' ' ' VAL . 76.1 m-85 -149.64 152.75 35.92 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.372 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 41.31 84.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -45.81 111.31 1.36 Allowed Pre-proline 0 N--CA 1.45 -0.473 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.385 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.77 146.28 67.39 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.298 1.999 . . . . 0.0 111.81 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.6 tt -66.1 138.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.547 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.0 161.73 52.32 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.1 -136.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.67 0.272 . . . . 0.0 110.551 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.1 t -80.1 -19.6 47.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.763 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 14.1 p90 -75.81 -17.65 59.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.666 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -58.01 -20.42 38.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.32 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.36 -20.8 7.57 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.8 tt -68.11 -24.87 30.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.776 0.322 . . . . 0.0 110.487 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.7 tp -91.15 -27.89 18.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.544 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.33 -41.53 97.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 35' ' ' VAL . 78.3 mt-30 -65.26 -42.31 93.39 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.34 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 HG12 ' A' ' 4' ' ' ILE . 14.1 mt -59.36 -44.44 92.69 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.755 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -68.71 -47.87 65.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.04 0.447 . . . . 0.0 110.507 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.91 -44.27 85.73 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.259 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 31' ' ' GLN . 43.6 t -59.39 -22.85 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.536 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -71.22 -37.21 72.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 1.3 tm0? -88.11 -11.69 46.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.448 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.05 152.6 44.19 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.86 0.362 . . . . 0.0 110.616 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -157.47 141.77 16.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.395 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.22 -149.67 16.66 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -69.4 -27.35 65.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 40.1 p-10 -66.59 -35.6 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.69 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.474 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.6 tt0 -65.93 -39.47 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.49 -43.03 96.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.889 0.376 . . . . 0.0 110.238 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.15 -26.98 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.542 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.54 90.71 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.141 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 t -62.04 -46.14 90.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -63.58 -42.37 98.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.635 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -66.82 -51.58 53.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.492 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.04 -39.06 93.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.46 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.544 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 25.6 t30 -57.4 -50.16 73.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.81 -43.12 97.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.59 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -63.49 -47.61 81.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.582 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -66.21 -44.58 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.544 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 90.3 m-20 -62.55 -41.57 98.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.592 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.06 -38.9 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.583 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -57.49 -38.14 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.415 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' PRO . 97.3 mt -62.12 -43.42 97.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.304 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.49 79.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.453 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.14 -41.46 63.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -135.02 65.24 64.72 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.559 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' ILE . 55.6 Cg_endo -72.94 -21.09 21.39 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.698 2.265 . . . . 0.0 112.018 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.65 -22.82 34.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.441 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.0 m -67.56 142.46 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.461 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.76 -16.61 65.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -67.29 -35.25 79.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.802 0.334 . . . . 0.0 110.827 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 50.3 p30 -61.28 -18.74 59.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.597 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.458 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 86.3 mt-30 -63.41 -39.31 94.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.401 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.4 -20.9 39.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.321 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.61 -40.89 69.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 68' ' ' GLN . 2.7 t -66.0 -20.56 66.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.69 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.68 -31.3 72.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.621 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.47 -39.4 87.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.738 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.491 ' O ' HG12 ' A' ' 77' ' ' VAL . 63.8 tttm -59.13 -46.33 88.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.429 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 78' ' ' THR . 71.1 mm-40 -71.65 -35.56 70.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.933 0.397 . . . . 0.0 111.117 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.41 -40.12 95.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.045 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -50.07 -42.15 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.122 -178.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.452 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 12.1 p -68.18 -38.07 81.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.108 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.1 m -67.31 -39.24 85.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.606 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.42 -54.41 44.14 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.74 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.92 179.006 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 5' ' ' PHE . 96.6 mt . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.892 0.377 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.521 ' N ' HG22 ' A' ' 4' ' ' ILE . 64.2 m-85 -71.86 140.28 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.6 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -76.68 144.94 39.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.73 -42.34 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -51.98 -33.73 39.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.619 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -65.89 -41.54 91.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.652 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.1 mp -65.54 -38.15 88.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.84 -42.31 93.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.15 -49.42 69.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -70.7 -34.85 72.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.638 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -10.08 58.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.614 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.5 tttt -65.44 -47.37 76.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LYS . 1.5 m 30.05 -105.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 123.436 0.46 . . . . 0.0 110.693 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' O ' ' O ' ' A' ' 18' ' ' ALA . 97.1 m-85 -111.61 120.78 43.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.424 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . 52.55 172.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.652 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -88.92 156.95 49.24 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.717 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.95 139.89 32.52 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 122.027 1.818 . . . . 0.0 112.119 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.669 ' H ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -79.48 141.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.677 179.742 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 24' ' ' SER . . . 78.23 -20.49 3.97 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 21' ' ' ILE . . . 52.52 6.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.607 0.241 . . . . 0.0 110.732 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 22' ' ' GLY . 19.3 m -82.27 -16.96 47.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.937 0.398 . . . . 0.0 110.606 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.411 ' O ' HG22 ' A' ' 28' ' ' ILE . 91.9 m-85 -75.04 -17.83 60.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.74 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.57 -15.91 3.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.51 -29.82 48.65 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 25' ' ' TYR . 20.1 tt -69.38 -23.9 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 0.0 110.502 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.7 mt -90.09 -41.78 11.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.332 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.89 -36.31 82.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.765 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -63.65 -31.38 72.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.811 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 32' ' ' LEU . 87.9 mt -61.4 -40.18 93.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.263 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.8 -35.97 79.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.859 0.361 . . . . 0.0 110.412 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.5 mp -65.34 -31.12 72.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.656 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.7 -42.76 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.515 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -71.77 -38.33 70.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.661 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -81.92 -25.45 34.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.518 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -76.02 158.09 32.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -154.88 147.1 23.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.224 0.535 . . . . 0.0 110.714 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.95 -128.22 28.55 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.459 ' HD3' ' H ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -62.11 -34.49 76.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.873 0.368 . . . . 0.0 110.599 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.31 -41.01 98.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.422 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.5 -40.78 89.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 110.644 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.5 -42.8 96.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.333 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.28 -42.68 66.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.96 96.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.127 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.45 ' OG ' ' CG1' ' A' ' 77' ' ' VAL . 70.4 m -62.06 -43.52 98.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.904 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -61.88 -46.56 88.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -69.43 -42.63 74.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.36 -39.39 92.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.454 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.57 -41.85 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.126 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.98 -45.13 90.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -63.65 -44.54 93.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.642 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.0 mt -67.05 -46.92 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.448 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.6 -42.28 95.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.87 -38.35 90.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.548 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -57.02 -42.33 80.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.314 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' PRO . 97.6 mt -62.81 -44.17 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.1 85.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -71.79 -40.64 69.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.767 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -136.9 65.97 54.01 Favored Pre-proline 0 N--CA 1.466 0.354 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.588 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ILE . 56.1 Cg_endo -72.56 -23.49 19.84 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.647 2.231 . . . . 0.0 111.851 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.2 p -78.76 -24.12 44.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.62 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 m -72.06 143.15 49.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.402 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.25 -9.35 73.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -67.35 -36.7 81.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.836 0.35 . . . . 0.0 110.598 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -58.78 -17.27 21.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.425 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -58.65 -46.73 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.643 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.55 -36.58 68.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.987 0.422 . . . . 0.0 110.474 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.18 -38.6 91.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.1 m -62.88 -25.96 68.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.672 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -62.34 -30.54 71.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.917 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 73' ' ' LEU . 10.8 mp -61.85 -40.94 97.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.285 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -59.95 -45.29 93.12 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.496 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.75 -44.31 81.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.88 -53.57 48.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.604 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.45 ' CG1' ' OG ' ' A' ' 47' ' ' SER . 78.9 t -61.43 -46.57 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.444 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.2 m -60.33 -44.56 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.0 p -64.22 -32.49 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.485 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.32 85.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.651 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.4 mt . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 120.829 0.347 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.25 134.22 56.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.111 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 7' ' ' VAL . 27.2 m -100.99 168.33 9.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.404 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.601 ' N ' HG22 ' A' ' 6' ' ' THR . 73.7 t -60.71 -45.36 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.564 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.691 HE22 ' NZ ' ' A' ' 11' ' ' LYS . 99.5 mm-40 -53.14 -39.49 63.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 110.64 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -70.28 -33.57 71.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.808 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.0 -19.98 61.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.205 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.691 ' NZ ' HE22 ' A' ' 8' ' ' GLN . 98.0 mttt -58.18 -39.02 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.552 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.19 -41.0 99.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -70.3 -39.05 75.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . -75.85 -9.58 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.671 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.18 -41.71 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 16' ' ' VAL . 11.3 m -75.99 -22.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.713 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 14' ' ' ALA . 64.9 m-85 -98.11 146.36 25.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.363 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.24 72.71 1.01 Allowed 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.078 0.466 . . . . 0.0 110.511 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.616 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -91.25 166.26 19.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.282 -179.308 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.87 147.79 79.41 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.363 2.042 . . . . 0.0 112.16 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.2 mm -75.02 132.7 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.367 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.8 95.57 0.95 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.33 -167.78 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 m -77.06 -22.06 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.539 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -70.68 -37.9 73.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.508 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -64.01 -29.97 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.411 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.96 -34.3 88.42 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.86 -25.28 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.675 0.274 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD11 HG22 ' A' ' 7' ' ' VAL . 24.9 tp -91.87 -42.18 10.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.826 0.346 . . . . 0.0 110.54 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -60.18 -49.23 78.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.619 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.25 -25.66 67.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.232 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.44 -41.83 94.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -61.72 -37.0 82.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.0 mp -64.4 -37.73 88.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.695 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.8 t -54.2 -26.14 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.599 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -81.95 -46.44 14.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.2 -3.87 58.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.578 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -72.49 142.11 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.705 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 2.4 mptp? -75.64 176.25 7.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.618 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.05 -44.31 73.1 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -74.83 -46.78 34.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.954 0.407 . . . . 0.0 110.785 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -66.24 -31.27 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.962 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.65 -37.25 86.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.468 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.6 mt -64.5 -43.91 96.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.375 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.78 -40.99 85.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.93 89.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.187 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 m -60.8 -41.94 96.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -61.72 -44.79 96.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.655 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -65.78 -49.15 69.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.963 0.411 . . . . 0.0 110.408 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.03 -34.45 78.03 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.726 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -56.55 -52.78 63.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.124 -178.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 53' ' ' LYS . 16.9 ptpt -67.06 -41.16 86.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.364 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 96.3 mttt -63.24 -45.31 92.15 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.758 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.02 -47.41 85.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.621 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -65.19 -43.55 91.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.019 0.438 . . . . 0.0 110.91 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.86 -44.9 91.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.908 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -59.99 -49.84 76.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.433 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.65 -44.62 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.466 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.75 -25.02 67.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.518 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -68.65 -41.9 78.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.573 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CB ' ' HG ' ' A' ' 64' ' ' SER . 40.9 m80 -144.99 71.63 14.82 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.645 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -56.1 -34.6 93.26 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.815 2.344 . . . . 0.0 111.925 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 63' ' ' THR . 85.4 m -73.19 0.85 10.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.697 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.411 ' HG ' ' CB ' ' A' ' 61' ' ' HIS . 58.9 m -56.88 -40.45 76.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.17 -50.59 3.99 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -64.22 -38.91 92.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.853 0.359 . . . . 0.0 110.427 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 70' ' ' LEU . 6.0 m120 -63.98 -19.18 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.205 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.497 ' O ' HG22 ' A' ' 71' ' ' THR . 59.4 tt0 -46.53 -32.54 3.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.497 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.31 -20.68 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.962 0.411 . . . . 0.0 110.58 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' ASN . 5.3 tp -63.16 -40.09 96.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.672 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 68' ' ' GLN . 3.6 t -56.85 -19.08 15.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.278 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -58.59 -39.36 80.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.348 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.1 mt -62.28 -40.63 96.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 51' ' ' ASN . 54.3 tttp -59.88 -47.6 85.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.648 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.6 -44.74 81.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.72 -53.4 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.6 t -61.2 -46.37 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.459 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.9 m -60.82 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.608 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.8 p -64.25 -33.52 76.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.531 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.75 89.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.7 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.827 0.346 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.432 ' CD1' ' NE2' ' A' ' 76' ' ' GLN . 5.2 m-85 -72.9 142.45 47.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.556 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -71.39 146.35 48.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.58 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 8' ' ' GLN . 12.6 p -62.64 -36.89 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.657 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' N ' HG13 ' A' ' 7' ' ' VAL . 57.9 tt0 -59.45 -41.76 90.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.06 -46.24 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.617 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.13 -36.81 82.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -58.26 -43.6 87.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.76 -42.15 95.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.635 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.13 -39.23 75.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.661 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.96 -10.43 59.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' PHE . 45.1 tptt -60.79 -43.46 98.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.6 t 46.5 -89.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.617 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 89.1 t80 -151.22 166.14 31.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.579 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.555 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . 52.46 173.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 114.26 13.5 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.06 140.99 23.22 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.537 2.158 . . . . 0.0 112.121 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 21' ' ' ILE . 20.7 tt -91.89 127.8 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.465 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.652 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 41.18 -116.61 0.92 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 81.28 155.76 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.823 0.344 . . . . 0.0 110.447 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.7 p -81.05 -12.89 59.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -67.34 -19.47 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.686 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.62 -22.9 66.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.74 -26.3 60.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mm -69.32 -42.08 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.773 0.32 . . . . 0.0 110.804 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.4 tp -89.76 -36.25 15.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.729 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -60.84 -35.48 76.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.226 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.507 HE21 ' CB ' ' A' ' 46' ' ' ALA . 56.1 tp60 -64.22 -38.41 90.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.473 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD21 HD12 ' A' ' 73' ' ' LEU . 7.3 mt -60.28 -42.77 96.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.785 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 64.6 t0 -62.54 -38.49 90.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.287 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 38' ' ' ALA . 89.4 mt -63.57 -38.96 93.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -42.64 90.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -73.44 -36.17 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -83.84 -24.86 30.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.639 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -77.11 155.07 32.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -156.93 140.71 16.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.45 0.643 . . . . 0.0 110.312 -179.349 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.74 -138.27 14.74 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -63.79 -39.58 94.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 110.67 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 46.2 p-10 -61.12 -24.47 66.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -178.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 59.2 tt0 -67.57 -38.78 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 44' ' ' ILE . 1.9 mp -64.55 -43.58 96.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.65 -54.25 46.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.507 ' CB ' HE21 ' A' ' 31' ' ' GLN . . . -63.32 -42.68 99.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.624 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -63.13 -50.21 71.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.919 0.39 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -64.35 -46.45 83.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.765 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -66.56 -37.17 84.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.472 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.11 -39.41 86.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.616 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.675 HD21 ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -57.8 -42.26 83.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.231 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -64.44 -40.35 95.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.779 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.49 -44.62 95.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.778 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -45.18 93.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.541 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.675 ' ND2' HD21 ' A' ' 51' ' ' ASN . 89.4 m-20 -63.32 -45.36 91.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -65.32 -41.71 93.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.788 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -58.32 -43.92 88.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.374 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.25 -44.52 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.18 93.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.503 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -70.27 -41.51 73.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.791 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -138.02 70.1 49.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.74 -15.6 21.34 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.659 2.239 . . . . 0.0 112.086 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.6 p -98.35 1.85 47.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.387 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.4 p -62.32 -34.81 77.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.684 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.85 -39.39 2.72 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -70.41 -19.34 63.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.705 0.288 . . . . 0.0 110.57 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 51.2 p-10 -67.02 -17.66 65.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.607 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.466 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 65.1 tt0 -56.69 -34.5 67.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.07 70.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.3 mp -63.72 -40.92 97.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.896 0.379 . . . . 0.0 110.536 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.8 m -51.22 -36.73 43.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -62.13 -40.04 94.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 73' ' ' LEU . 4.0 mm? -61.92 -40.99 97.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.737 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 78' ' ' THR . 25.7 ttpp -57.58 -47.35 82.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.572 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 78' ' ' THR . 98.5 mt-10 -66.64 -38.14 86.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.64 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.432 ' NE2' ' CD1' ' A' ' 5' ' ' PHE . 81.8 mt-30 -64.64 -45.77 85.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 81' ' ' LEU . 72.4 t -60.4 -46.92 94.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.542 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 74' ' ' LYS . 33.7 p -52.11 -39.79 60.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.58 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 t -68.57 -59.42 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.09 -28.42 69.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 77' ' ' VAL . 44.4 tp . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.556 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.868 0.366 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.0 132.96 52.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.303 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 7' ' ' VAL . 11.2 m -79.09 159.57 27.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.423 ' N ' HG22 ' A' ' 6' ' ' THR . 20.7 m -63.71 -37.78 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.663 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -52.51 -47.09 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.828 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.37 -36.65 77.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.653 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 14' ' ' ALA . 4.8 tp -64.17 -36.23 83.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.66 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.25 -41.74 80.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.735 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.61 -47.05 80.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.663 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -74.58 -23.81 58.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.25 -9.94 59.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.736 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 17' ' ' PHE . 10.2 mtpm? -58.52 -45.41 88.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.7 t 39.24 -90.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.898 0.38 . . . . 0.0 110.95 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' LYS . 90.8 t80 -150.79 163.79 37.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.501 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -63.09 115.45 4.47 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -136.29 149.2 67.16 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.046 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -46.85 142.29 10.78 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.087 1.858 . . . . 0.0 112.247 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 pt -88.8 146.26 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.573 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.99 164.11 34.1 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.29 -25.37 63.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.911 0.386 . . . . 0.0 110.643 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 m -80.24 -18.03 50.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.446 ' O ' HG22 ' A' ' 28' ' ' ILE . 87.4 t80 -70.59 -46.75 62.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -69.01 -16.86 63.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.632 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' C ' ' NZ ' ' A' ' 53' ' ' LYS . . . -52.19 -30.36 31.52 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 25' ' ' TYR . 19.6 tt -69.36 -27.39 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.923 0.392 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -91.35 -39.74 11.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.658 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 64.2 t0 -60.23 -39.14 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.542 HE21 ' CB ' ' A' ' 46' ' ' ALA . 69.7 tp60 -65.19 -36.65 84.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.277 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.27 -51.43 69.6 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.439 -178.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -63.38 -35.83 81.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.378 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.9 tp -62.45 -40.9 98.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.742 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 31' ' ' GLN . 40.9 t -55.34 -22.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.292 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -84.16 -46.02 12.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -85.78 -10.81 54.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.974 0.416 . . . . 0.0 110.568 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -72.2 140.39 48.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 43' ' ' GLN . 31.7 mmtm -81.12 175.15 10.9 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.73 -25.76 9.71 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -86.75 -59.05 2.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.812 0.339 . . . . 0.0 110.664 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -65.64 -28.38 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 56.1 tt0 -64.16 -41.11 97.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.284 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.01 -43.31 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.408 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.06 -35.19 70.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.542 ' CB ' HE21 ' A' ' 31' ' ' GLN . . . -62.49 -36.31 82.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.342 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.4 p -62.19 -45.16 94.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -63.34 -45.94 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -67.39 -48.57 66.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.455 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.69 -40.45 97.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 51' ' ' ASN . 0.8 OUTLIER -59.0 -48.44 81.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.595 -179.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -64.04 -39.76 94.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.359 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' NZ ' ' C ' ' A' ' 27' ' ' GLY . 37.7 ttmt -62.43 -45.99 90.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.554 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.92 -44.64 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -63.27 -41.14 98.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.86 -39.35 94.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.66 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.78 -43.47 90.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.95 -44.78 99.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.374 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.44 83.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -71.67 -40.57 69.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.619 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -137.5 66.57 50.96 Favored Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.716 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.32 -15.33 22.62 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.762 2.308 . . . . 0.0 111.912 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.1 p -91.99 -15.28 28.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 t -61.08 -44.9 96.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.37 -19.51 8.44 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -72.11 -20.44 61.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.845 0.355 . . . . 0.0 110.59 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' LEU . 88.8 m-20 -65.93 -23.69 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.302 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -44.73 -30.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.617 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.76 -36.81 70.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.285 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' ASN . 58.1 mt -67.18 -37.35 83.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.948 0.404 . . . . 0.0 110.613 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -58.47 -29.98 66.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.71 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.11 -37.66 85.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.74 -40.57 97.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.333 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -56.61 -49.65 74.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.516 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.93 -35.42 78.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.684 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -63.55 -53.38 52.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.655 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.16 -44.05 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.381 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 79.4 m -58.63 -44.72 90.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.1 p -64.96 -34.81 79.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.45 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 5' ' ' PHE . 96.4 mt . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.801 0.334 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.525 ' CZ ' ' OE1' ' A' ' 72' ' ' GLN . 59.9 m-85 -68.59 135.11 50.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.451 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -73.44 149.5 42.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.554 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 8' ' ' GLN . 11.5 p -60.56 -41.16 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.714 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.509 ' N ' HG13 ' A' ' 7' ' ' VAL . 59.2 tt0 -55.18 -41.64 72.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.728 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.23 -35.39 68.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.793 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 92.1 mt -67.39 -29.42 68.93 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.01 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -52.28 -39.63 60.71 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.933 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.14 -58.12 6.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.831 0.348 . . . . 0.0 111.262 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 88.6 mtm180 -70.05 -36.97 75.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . -69.01 -10.02 55.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.492 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.584 ' NZ ' ' CD1' ' A' ' 17' ' ' PHE . 14.8 tmtt? -58.94 -47.05 86.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.721 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.548 ' O ' ' O ' ' A' ' 15' ' ' LYS . 41.9 t 49.81 118.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.32 0.581 . . . . 0.0 111.07 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.584 ' CD1' ' NZ ' ' A' ' 15' ' ' LYS . 87.6 m-85 -67.81 136.73 54.61 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.79 41.82 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.121 0.486 . . . . 0.0 110.535 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -44.93 159.22 0.27 Allowed Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.913 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.32 151.23 53.73 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.425 2.083 . . . . 0.0 112.083 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.6 pt -66.55 152.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.724 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.55 18.44 60.23 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 41.76 77.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.834 0.35 . . . . 0.0 110.776 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -82.12 -15.61 52.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -73.75 -18.62 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.555 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -61.85 -43.99 97.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.579 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.3 -31.25 78.47 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 32' ' ' LEU . 29.5 mm -70.05 -23.35 25.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-O 120.798 0.332 . . . . 0.0 110.538 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tt -92.66 -42.55 9.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.776 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -58.67 -45.55 89.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.545 ' HG2' ' HZ1' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -64.21 -40.81 96.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.154 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 28' ' ' ILE . 3.5 mm? -61.64 -42.57 99.09 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.389 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -65.35 -34.22 77.8 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.043 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 50.9 tp -64.9 -41.92 95.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.014 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -55.98 -27.15 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.352 -178.165 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -79.5 -40.18 30.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.241 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -84.42 -21.98 30.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.617 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -77.4 159.91 29.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -160.88 139.64 10.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.65 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.61 -125.07 9.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 9.6 mpt_? -63.79 -36.44 83.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.803 0.335 . . . . 0.0 110.632 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -62.53 -38.35 89.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.625 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.27 -39.8 89.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.623 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.35 -42.35 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.383 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.31 -40.53 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.99 92.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.533 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.1 t -62.07 -42.77 99.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.27 -46.0 92.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.612 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -67.22 -45.95 75.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.452 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD21 ' CD2' ' A' ' 32' ' ' LEU . 7.5 mt -62.58 -40.74 97.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.723 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -57.6 -43.68 84.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.135 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -64.2 -44.03 93.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.495 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.545 ' HZ1' ' HG2' ' A' ' 31' ' ' GLN . 53.0 mtmt -64.17 -47.75 78.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.699 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.27 -44.95 87.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.403 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -65.02 -43.99 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.08 -38.94 92.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.602 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.32 -40.37 74.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.355 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.92 -44.3 99.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.429 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.52 84.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.95 -41.83 64.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.896 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -135.0 66.22 67.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.523 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.56 -25.14 21.36 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.671 2.247 . . . . 0.0 111.926 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 79.5 p -77.17 -24.27 51.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.432 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.8 t -67.65 141.21 56.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.547 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.88 -17.88 60.69 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 13' ' ' ARG . 47.0 mmm-85 -65.58 -23.95 66.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.59 0.233 . . . . 0.0 110.659 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 57.7 p30 -63.68 -16.78 61.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.49 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 53.1 mt-30 -63.75 -39.58 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.12 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -64.2 -40.78 96.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.866 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -63.08 -24.28 67.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.623 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.525 ' OE1' ' CZ ' ' A' ' 5' ' ' PHE . 56.7 tt0 -66.15 -36.31 82.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 73' ' ' LEU . 11.0 mp -62.3 -40.22 95.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.523 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -58.42 -43.9 88.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.55 -40.47 84.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.13 -54.74 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.45 -46.0 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.459 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.6 m -61.0 -44.36 97.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.6 t -63.43 -40.98 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.08 -50.46 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.593 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.463 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.755 0.312 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.443 ' HB2' HD11 ' A' ' 73' ' ' LEU . 68.5 m-85 -67.62 135.86 53.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.41 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 p -79.36 163.75 24.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.476 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 8' ' ' GLN . 5.2 p -61.72 -46.75 95.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.777 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.504 ' N ' HG13 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -47.48 -49.02 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.329 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.87 -35.62 77.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.017 0.437 . . . . 0.0 110.254 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.27 -35.54 81.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.731 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.75 -41.65 91.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.851 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -61.88 -52.67 63.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -70.03 -38.66 75.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.691 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.22 -9.67 58.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.663 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.523 ' O ' ' O ' ' A' ' 16' ' ' VAL . 38.3 ttpt -57.04 -46.36 82.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.864 HG22 ' H ' ' A' ' 17' ' ' PHE . 11.8 p 42.98 -177.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 123.706 0.629 . . . . 0.0 111.256 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.864 ' H ' HG22 ' A' ' 16' ' ' VAL . 86.7 t80 -70.05 131.96 45.14 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 17' ' ' PHE . . . 70.45 166.55 0.29 Allowed 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.619 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -98.91 114.07 65.13 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.476 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -53.42 146.91 39.55 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.432 2.088 . . . . 0.0 112.497 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -50.67 136.95 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -75.49 -177.99 42.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 75.11 -67.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.009 0.433 . . . . 0.0 110.496 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -73.99 -38.53 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.573 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -74.78 -22.55 58.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -66.17 -31.87 72.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.746 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.56 -18.07 79.37 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.441 ' O ' HD23 ' A' ' 32' ' ' LEU . 31.7 mm -65.56 -42.52 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 C-N-CA 121.331 -0.148 . . . . 0.0 110.962 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -26.72 18.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.889 0.376 . . . . 0.0 110.823 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.39 -35.21 75.22 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.404 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.566 HE21 ' HB1' ' A' ' 46' ' ' ALA . 64.9 tp60 -66.12 -34.92 79.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.608 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.64 ' O ' HG12 ' A' ' 35' ' ' VAL . 4.1 mm? -62.14 -46.68 87.92 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 68.2 t0 -67.98 -35.33 78.17 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.259 0.552 . . . . 0.0 110.475 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' ALA . 39.0 tp -63.39 -39.44 94.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.265 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -52.97 -28.13 13.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.481 -178.709 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -79.38 -44.21 21.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.619 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -84.99 -8.55 58.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.153 0.502 . . . . 0.0 110.199 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -68.52 142.07 55.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.505 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 43' ' ' GLN . 14.4 tmtt? -72.73 158.48 35.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.83 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . . . -33.87 -74.47 0.07 OUTLIER Glycine 0 CA--C 1.532 1.141 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.34 -42.47 91.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.537 -0.39 . . . . 0.0 110.564 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.63 -24.0 67.36 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.673 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.595 ' N ' ' O ' ' A' ' 39' ' ' LYS . 50.8 tt0 -69.14 -32.28 71.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.435 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.03 -43.05 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.333 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.75 77.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.709 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.566 ' HB1' HE21 ' A' ' 31' ' ' GLN . . . -62.07 -43.77 98.12 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.423 ' OG ' HD11 ' A' ' 81' ' ' LEU . 47.6 m -62.17 -46.86 87.06 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.97 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -63.91 -47.27 81.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.622 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -68.15 -41.08 82.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.47 -36.25 79.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.302 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -57.87 -40.65 80.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.223 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -43.3 95.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.7 -47.28 84.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.443 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.3 -44.35 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.431 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.12 -41.78 98.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.631 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.52 -40.04 95.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.532 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CZ ' ' NE2' ' A' ' 61' ' ' HIS . 46.8 t80 -59.06 -40.72 86.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.327 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.47 -43.13 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.302 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.93 86.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.344 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -76.6 -1.71 28.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.517 ' NE2' ' CZ ' ' A' ' 57' ' ' TYR . 32.2 m80 -127.45 63.08 57.54 Favored Pre-proline 0 N--CA 1.466 0.37 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.455 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.7 -20.99 52.3 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.667 2.245 . . . . 0.0 111.836 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -79.05 -14.77 58.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.404 -179.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m 69.21 149.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.2 -107.21 0.26 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.52 ' NH1' ' H ' ' A' ' 16' ' ' VAL . 24.8 mmt85 -78.76 -10.67 59.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.837 0.351 . . . . 0.0 110.604 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 46.3 p-10 -64.8 -21.19 66.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.401 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 85.7 mt-30 -65.51 -34.73 78.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.62 -39.12 73.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.23 -37.96 86.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.58 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -59.78 -31.83 70.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.881 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -61.42 -39.51 91.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.756 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 73' ' ' LEU . 4.2 mm? -63.16 -40.85 98.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.985 0.422 . . . . 0.0 110.395 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HB3' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -59.46 -49.99 75.64 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.835 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.89 -39.83 79.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.616 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -64.67 -51.37 62.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.772 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.39 -47.64 91.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.422 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.8 p -62.54 -42.24 99.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 m -63.89 -36.29 83.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.548 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.51 -46.73 80.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.682 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.423 HD11 ' OG ' ' A' ' 47' ' ' SER . 83.6 mt . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.545 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.793 0.33 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.502 ' CE2' ' NE2' ' A' ' 76' ' ' GLN . 70.0 m-85 -59.0 135.09 57.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -73.6 147.17 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.565 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.7 -45.35 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -55.84 -40.47 72.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.412 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -68.42 -38.39 81.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.58 -35.17 79.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -59.32 -40.69 87.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -58.27 -56.34 23.4 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.818 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -69.95 -37.6 75.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.7 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.17 -8.75 57.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.606 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.8 tttt -63.04 -47.49 82.77 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 15' ' ' LYS . 1.2 m 27.69 -101.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 123.534 0.521 . . . . 0.0 110.677 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.611 ' CZ ' ' NZ ' ' A' ' 19' ' ' LYS . 55.0 p90 -99.84 141.58 32.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.247 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.15 128.86 14.64 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.377 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' NZ ' ' CZ ' ' A' ' 17' ' ' PHE . 12.9 mttm -109.61 149.22 39.58 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.72 139.98 30.56 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.195 1.93 . . . . 0.0 112.269 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 22' ' ' GLY . 34.3 pt -79.39 144.45 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.57 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' ILE . . . 49.95 103.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.25 173.22 14.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.578 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.8 t -72.68 -15.54 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.63 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.639 ' O ' HG22 ' A' ' 28' ' ' ILE . 85.6 t80 -68.72 -34.84 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.473 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.37 -23.0 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.489 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.66 -19.59 62.94 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 25' ' ' TYR . 18.9 tt -66.31 -24.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.779 0.324 . . . . 0.0 110.449 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -92.6 -30.45 15.62 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.458 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 46.5 t0 -62.22 -34.86 77.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.04 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 28' ' ' ILE . 11.7 pt20 -63.31 -37.0 85.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -61.11 -43.23 99.2 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.735 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.47 -35.14 79.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.088 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ALA . 35.4 tp -64.56 -37.48 87.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.409 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.8 t -58.01 -28.23 33.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.325 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -80.79 -45.05 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.66 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -84.44 -8.05 59.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.005 0.431 . . . . 0.0 110.421 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -70.44 144.86 51.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.566 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -73.22 161.15 30.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.429 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.2 -59.12 3.09 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.7 mtm-85 -64.28 -46.0 85.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.771 0.319 . . . . 0.0 110.956 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.24 -21.17 66.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.783 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' A' ' 39' ' ' LYS . 17.6 tt0 -68.0 -38.19 82.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.454 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 44' ' ' ILE . 2.0 mp -64.8 -43.3 96.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.003 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.78 -37.14 70.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.527 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -34.96 77.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.282 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.7 m -55.66 -40.11 71.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.685 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -63.31 -41.34 98.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -65.68 -50.83 63.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.409 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.76 -42.32 98.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.802 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.14 -50.28 74.33 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.566 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.73 -45.44 78.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.28 -47.26 85.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.94 -45.19 91.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.445 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.31 -43.49 94.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.035 0.445 . . . . 0.0 110.492 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.93 -40.34 94.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.659 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -55.26 -39.88 70.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.487 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.425 HD11 ' OG1' ' A' ' 71' ' ' THR . 83.7 mt -62.8 -44.68 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.526 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.1 77.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.643 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.92 -41.18 78.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.787 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.408 ' O ' ' OD1' ' A' ' 67' ' ' ASN . 46.0 m80 -142.32 68.21 21.26 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.26 -19.44 15.3 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.665 2.244 . . . . 0.0 111.913 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.7 m -76.48 -18.06 58.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.702 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.5 m -58.51 -41.68 85.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.696 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.58 -24.25 3.23 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -74.85 -15.03 60.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.683 HD22 ' N ' ' A' ' 67' ' ' ASN . 1.0 OUTLIER -67.76 -19.9 65.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -51.68 -40.31 59.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.582 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.88 -37.16 75.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.895 0.379 . . . . 0.0 110.296 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.96 -40.56 96.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.425 ' OG1' HD11 ' A' ' 58' ' ' ILE . 25.2 m -57.22 -22.92 44.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.477 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -63.01 -31.84 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.642 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 73' ' ' LEU . 10.4 mp -64.01 -38.73 92.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.65 -53.76 50.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -69.4 -27.47 65.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.636 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.502 ' NE2' ' CE2' ' A' ' 5' ' ' PHE . 50.7 tt0 -62.35 -48.42 79.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.08 -47.23 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.0 p -61.76 -44.91 95.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.485 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -64.77 -43.65 92.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.638 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.23 82.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' CD2' ' NE2' ' A' ' 43' ' ' GLN . 61.9 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.627 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 5' ' ' PHE . 92.6 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.727 0.299 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 73' ' ' LEU . 39.5 m-85 -69.12 133.0 47.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.49 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 p -83.33 161.92 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.6 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 8' ' ' GLN . 27.0 m -65.7 -40.49 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.631 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.467 ' N ' HG23 ' A' ' 7' ' ' VAL . 88.8 mt-30 -54.78 -40.98 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.632 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.45 -42.02 88.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.74 -40.65 92.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.74 -41.89 91.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.28 -49.17 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.405 HH12 ' HB1' ' A' ' 69' ' ' ALA . 90.1 mtm180 -72.38 -22.76 61.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.655 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -11.1 60.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.696 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' VAL . 60.8 mttp -63.61 -43.61 96.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LYS . 33.5 m 34.31 -146.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.427 0.455 . . . . 0.0 110.851 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -98.31 148.84 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.622 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.93 -130.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.622 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -150.69 115.63 3.28 Favored Pre-proline 0 N--CA 1.445 -0.723 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.766 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.77 159.86 38.15 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.734 2.289 . . . . 0.0 112.042 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 21' ' ' ILE . 19.3 tt -84.18 131.17 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.686 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.596 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -79.09 -161.91 22.09 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 76.07 -64.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.831 0.348 . . . . 0.0 110.552 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.1 p -72.91 -40.42 65.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.356 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -79.15 -19.59 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.586 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -66.86 -27.9 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.19 87.94 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.15 -23.44 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.457 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.2 mp -92.03 -45.37 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.283 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -61.46 -31.11 71.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.68 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -62.52 -36.68 83.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.87 -43.1 98.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.311 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.12 -42.47 99.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.144 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.48 -43.38 90.42 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.62 -25.47 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -80.93 -37.36 29.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.326 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -82.74 -22.49 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.339 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.3 158.11 35.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' H ' ' HB2' ' A' ' 42' ' ' ASP . 28.2 tptp -159.21 142.27 14.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.63 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.66 -130.87 10.95 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -66.93 -19.86 65.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.419 ' HB2' ' H ' ' A' ' 39' ' ' LYS . 98.0 m-20 -65.38 -35.77 81.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.597 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -66.12 -36.73 83.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.48 -42.9 94.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.71 -39.44 68.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.71 97.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.387 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.6 p -62.88 -34.65 77.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.741 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CE2' ' NZ ' ' A' ' 52' ' ' LYS . 51.0 t80 -61.15 -48.95 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.651 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -70.71 -45.08 65.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.929 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.27 -40.12 92.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.632 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 87.4 m-20 -53.31 -52.0 60.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.584 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.508 ' NZ ' ' CE2' ' A' ' 48' ' ' PHE . 30.8 mtmm -66.07 -45.9 79.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.825 0.345 . . . . 0.0 111.014 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.62 -48.0 82.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -43.84 94.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.38 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.638 ' ND2' ' NZ ' ' A' ' 74' ' ' LYS . 13.7 m120 -62.65 -38.53 90.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.342 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -58.31 -46.59 85.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.401 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.25 -41.41 88.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.639 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.543 HD11 ' OG1' ' A' ' 71' ' ' THR . 96.2 mt -62.82 -44.51 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.333 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.02 93.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.609 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.92 -39.75 63.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 52.6 m-70 -134.17 65.35 68.73 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.586 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.76 -19.81 30.92 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.709 2.272 . . . . 0.0 111.943 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -22.03 28.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.337 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.47 ' CB ' HH21 ' A' ' 66' ' ' ARG . 23.4 m -63.42 144.57 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.401 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.93 -18.91 53.25 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.734 ' HE ' ' H ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -66.76 -37.3 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.678 -0.307 . . . . 0.0 110.743 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 61' ' ' HIS . 51.5 p30 -64.31 -19.09 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.685 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.485 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 99.2 mm-40 -60.09 -42.66 95.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.48 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HB1' HH12 ' A' ' 13' ' ' ARG . . . -76.31 -29.96 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.447 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.0 tp -69.26 -39.05 78.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.09 0.472 . . . . 0.0 110.694 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.543 ' OG1' HD11 ' A' ' 58' ' ' ILE . 24.8 m -64.77 -21.21 66.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.607 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -71.65 -22.8 61.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 5' ' ' PHE . 3.8 mm? -60.81 -48.0 83.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.638 ' NZ ' ' ND2' ' A' ' 55' ' ' ASN . 15.1 ptpt -63.84 -34.69 78.5 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.283 0.364 . . . . 0.0 110.711 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.84 -47.78 79.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.712 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.14 -43.75 90.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 73' ' ' LEU . 70.8 t -60.79 -46.28 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 74' ' ' LYS . 17.0 p -58.64 -40.4 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -63.33 -41.99 98.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.87 96.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.659 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.741 -179.663 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.7 mm . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.835 0.35 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.53 ' CE2' ' NE2' ' A' ' 76' ' ' GLN . 43.3 m-85 -69.83 134.54 48.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.561 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -78.34 150.03 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.93 -46.94 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.62 -40.34 78.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.115 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.74 -47.42 75.32 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.269 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 14' ' ' ALA . 6.2 tp -70.85 -22.37 62.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.665 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.72 -45.94 85.1 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.604 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.93 -44.96 83.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -72.04 -23.22 61.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.48 -13.15 61.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.697 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 16' ' ' VAL . 69.0 mmtt -62.44 -43.56 98.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.701 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.852 HG22 ' H ' ' A' ' 17' ' ' PHE . 12.0 p 45.54 -178.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.988 0.423 . . . . 0.0 110.764 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.852 ' H ' HG22 ' A' ' 16' ' ' VAL . 94.6 m-85 -103.47 120.07 40.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . 58.41 119.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.647 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -152.57 114.91 2.84 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.668 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.97 143.05 41.56 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.737 1.625 . . . . 0.0 112.513 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.8 tt -74.88 137.17 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.328 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -159.68 -26.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 66.3 -6.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.703 0.287 . . . . 0.0 110.64 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.489 ' H ' ' C ' ' A' ' 22' ' ' GLY . 78.0 p -77.5 -17.36 58.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.591 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -77.32 -23.54 50.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -64.98 -32.2 73.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.77 -31.42 78.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.12 -25.44 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.72 0.295 . . . . 0.0 110.621 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.8 mp -91.16 -32.73 15.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.314 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.84 -38.38 88.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.315 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 35' ' ' VAL . 84.4 mt-30 -64.8 -30.02 71.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.11 -46.08 92.07 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.73 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.15 -43.1 92.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.189 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 53.4 tp -63.86 -44.36 93.33 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.532 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 31' ' ' GLN . 37.2 t -55.7 -23.46 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.385 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -79.0 -51.24 9.87 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.451 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -90.23 6.89 40.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.603 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -69.54 145.82 52.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.288 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -71.88 149.86 44.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.994 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' LYS . . . -34.23 -69.66 0.18 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.492 ' H ' ' CE ' ' A' ' 39' ' ' LYS . 60.8 ttm-85 -58.19 -42.79 86.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.449 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -64.32 -29.16 70.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 39' ' ' LYS . 59.6 tt0 -67.36 -37.8 83.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.12 -44.49 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.84 85.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.938 0.399 . . . . 0.0 110.643 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.8 85.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.601 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.0 p -61.8 -42.57 99.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.832 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -64.18 -36.01 82.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -64.14 -51.62 63.01 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.361 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.48 -37.48 87.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.047 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -50.91 -49.11 60.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -43.13 94.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.385 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -62.59 -49.22 76.11 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.782 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.4 -45.29 79.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.833 0.349 . . . . 0.0 110.441 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -62.44 -44.58 96.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.573 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 65.8 t0 -65.59 -38.18 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.595 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CZ ' ' CE1' ' A' ' 61' ' ' HIS . 56.0 t80 -59.38 -41.84 90.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.376 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.53 -43.53 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.1 92.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.443 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.83 -4.32 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.7 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CE1' ' CZ ' ' A' ' 57' ' ' TYR . 49.9 m80 -125.78 66.58 57.51 Favored Pre-proline 0 N--CA 1.467 0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.429 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.73 -15.57 37.25 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.561 2.174 . . . . 0.0 111.978 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 64' ' ' SER . 53.1 p -86.76 -4.77 59.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.646 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 63' ' ' THR . 11.3 t 58.43 148.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.655 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.37 -101.11 0.17 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -82.83 -10.93 58.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.519 ' OD1' ' NE2' ' A' ' 68' ' ' GLN . 25.8 p-10 -66.61 -20.33 65.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' NE2' ' OD1' ' A' ' 67' ' ' ASN . 15.3 mp0 -64.19 -34.96 79.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.174 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.61 -40.6 69.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.763 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 70' ' ' LEU . 9.7 mp -64.82 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.511 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 m -57.2 -35.34 69.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.599 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -61.6 -38.2 86.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.783 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.19 -43.73 98.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 78' ' ' THR . 88.9 tttt -59.77 -44.46 93.86 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.444 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.97 -38.85 89.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.859 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.53 ' NE2' ' CE2' ' A' ' 5' ' ' PHE . 86.3 mt-30 -70.39 -49.05 53.05 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.243 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.43 -50.05 81.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.333 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 74' ' ' LYS . 8.1 t -62.72 -39.68 94.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 78' ' ' THR . 38.2 m -61.72 -35.9 79.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.567 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.28 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.645 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.0 mt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.486 179.878 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 88.7 mt . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 120.679 0.276 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -64.99 132.81 50.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 110.39 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -67.01 144.15 56.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.442 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 8' ' ' GLN . 9.1 p -64.28 -37.59 80.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' N ' HG13 ' A' ' 7' ' ' VAL . 56.1 tt0 -58.08 -45.51 87.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.603 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.39 -29.04 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -64.02 -37.14 86.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.485 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HZ2' HG22 ' A' ' 7' ' ' VAL . 64.2 mttp -59.1 -42.54 90.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -36.09 72.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.83 0.348 . . . . 0.0 110.475 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.482 ' O ' HG12 ' A' ' 16' ' ' VAL . 17.1 tpt180 -73.88 -39.38 63.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.655 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.15 -19.29 62.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.998 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -61.95 -8.43 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 13' ' ' ARG . 11.7 p -75.41 -33.84 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 90.4 t80 -113.69 140.47 48.21 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.428 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.532 ' O ' ' CD2' ' A' ' 17' ' ' PHE . . . -58.67 142.58 49.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -72.1 146.43 89.87 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.57 159.52 53.23 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.527 2.152 . . . . 0.0 112.177 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.12 155.12 7.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.447 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.01 -115.15 4.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.26 49.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.509 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -80.51 -14.82 57.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -73.18 -17.52 61.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.614 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.62 -37.06 80.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.591 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.5 -35.18 90.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.487 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.1 mm -69.52 -23.9 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.816 0.341 . . . . 0.0 110.72 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -93.28 -42.4 9.35 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.71 -43.6 98.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.651 HE21 ' NZ ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -63.96 -46.93 82.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 -179.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 28' ' ' ILE . 3.8 mm? -62.33 -40.78 97.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.055 0.455 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.89 -43.93 86.8 Favored 'General case' 0 C--N 1.311 -1.065 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.218 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' ALA . 56.4 tp -69.15 -49.75 54.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.251 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.71 -25.88 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.56 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -78.94 -43.53 24.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.394 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -85.14 -22.35 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.474 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -75.64 163.08 27.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.577 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.94 168.42 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.591 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.66 -145.9 39.4 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -68.49 -22.2 64.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 0.0 110.638 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 67.0 t0 -63.84 -35.07 79.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.384 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.18 -29.74 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.539 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.69 -42.91 96.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.312 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.12 82.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.627 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.04 93.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.492 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.8 p -62.4 -39.27 92.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.708 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.59 -46.01 91.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.465 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -66.3 -42.87 87.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.385 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 31' ' ' GLN . 38.4 mt -62.25 -39.87 94.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.613 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.47 -40.84 83.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.289 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -64.1 -44.95 90.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.651 ' NZ ' HE21 ' A' ' 31' ' ' GLN . 85.4 mttt -65.14 -47.87 75.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.633 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.36 -45.69 85.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.432 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -64.45 -45.62 86.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.701 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -63.39 -39.73 95.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.636 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.48 -41.64 81.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.49 -43.99 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.435 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.69 80.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.535 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -71.62 -41.14 69.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -137.13 65.86 52.05 Favored Pre-proline 0 N--CA 1.466 0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.41 -22.88 15.74 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.726 2.284 . . . . 0.0 111.94 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.7 p -76.03 -24.76 55.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.5 t -70.21 139.71 52.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.35 -20.38 64.57 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.49 ' H ' ' NE ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -63.79 -34.96 79.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.712 0.292 . . . . 0.0 110.588 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 52.1 p-10 -58.28 -17.18 17.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.47 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.437 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 99.3 mm-40 -64.19 -40.7 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.82 -37.3 70.36 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.999 0.428 . . . . 0.0 110.414 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.65 -38.18 90.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.9 m -62.74 -22.71 66.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.677 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.04 -34.19 75.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.682 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.87 -39.14 93.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.741 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.96 -54.76 42.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.676 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.09 -33.98 76.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.663 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.49 -54.07 42.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.3 t -61.96 -44.9 99.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 m -59.35 -44.08 92.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.695 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.7 t -62.72 -39.15 93.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.03 -38.79 76.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.71 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.658 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.665 ' O ' HG21 ' A' ' 35' ' ' VAL . 1.3 mp . . . . . 0 C--O 1.224 -0.279 0 CA-C-O 121.065 0.46 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.539 ' CD2' ' N ' ' A' ' 6' ' ' THR . 28.6 t80 -57.95 167.69 1.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.414 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.539 ' N ' ' CD2' ' A' ' 5' ' ' PHE . 10.1 m -61.33 158.31 14.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.627 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' LYS . 97.2 t -66.36 -22.06 29.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.739 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -54.26 -42.18 69.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -64.21 -48.35 76.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.18 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 10' ' ' LEU . 40.9 tp -71.38 -28.46 64.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.929 0.395 . . . . 0.0 110.624 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 7' ' ' VAL . 15.8 ttmm -59.63 -39.48 84.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.619 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.05 -44.76 95.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.58 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -68.3 -33.78 74.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.78 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.61 -8.52 52.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.568 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -51.45 -36.06 42.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 m -78.61 148.22 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.427 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.549 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 53.1 p90 -70.82 120.44 16.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.669 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 17' ' ' PHE . . . 175.57 66.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.133 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -96.52 114.71 64.91 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.444 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.22 145.14 45.15 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.562 2.175 . . . . 0.0 112.021 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.0 mm -70.51 151.52 9.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.97 12.78 67.71 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 41.09 42.16 1.53 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.832 0.349 . . . . 0.0 110.782 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.5 m -79.86 -16.56 55.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.563 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -78.01 -20.05 53.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.69 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.15 -41.4 99.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.562 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.75 -20.6 76.14 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.46 ' O ' HD13 ' A' ' 32' ' ' LEU . 4.3 mm -70.91 -27.15 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.708 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 mp -92.61 -19.41 21.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.44 -40.1 89.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.393 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -66.71 -35.9 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.712 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 28' ' ' ILE . 9.0 mp -61.89 -43.86 97.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.699 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.62 -31.56 72.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.966 0.412 . . . . 0.0 110.616 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 37' ' ' GLN . 76.4 mt -71.5 -21.97 61.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.665 HG21 ' O ' ' A' ' 4' ' ' ILE . 78.6 t -46.73 -23.84 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.553 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -87.46 -34.45 18.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.594 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' LEU . 87.6 mt-30 -82.08 -34.13 29.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.751 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.84 150.27 42.84 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 110.639 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.75 156.1 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.64 -129.14 48.2 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.38 -40.81 92.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.772 0.32 . . . . 0.0 110.51 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.62 -36.01 75.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.463 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.74 -51.26 51.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.715 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.38 -42.77 96.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.206 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.91 -38.63 57.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.601 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.88 -35.57 80.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.382 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.547 ' OG ' HG11 ' A' ' 77' ' ' VAL . 27.3 t -62.65 -55.88 22.9 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.047 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -63.74 -29.26 70.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.758 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.15 -61.73 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.744 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.87 -31.81 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -42.06 -59.83 1.62 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -66.44 -36.05 81.82 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.139 179.075 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -61.13 -44.64 97.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.72 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.21 -47.5 87.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -65.16 -44.63 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 0.0 110.73 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.99 -40.96 91.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.726 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -58.97 -47.59 84.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.483 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.458 ' CD1' ' OG1' ' A' ' 71' ' ' THR . 97.8 mt -63.38 -42.21 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.347 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.79 -26.95 58.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.45 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -71.16 -41.08 70.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.523 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -139.27 66.67 37.99 Favored Pre-proline 0 N--CA 1.464 0.253 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.532 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.02 -11.63 25.5 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.885 2.39 . . . . 0.0 112.026 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -25.9 64.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.311 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.6 t -76.96 129.04 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.476 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.76 -35.14 79.37 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -63.86 -36.42 83.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.603 0.239 . . . . 0.0 110.639 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -60.72 -27.25 67.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.331 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -68.73 -23.27 64.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.012 0.434 . . . . 0.0 110.493 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.13 -24.15 60.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.756 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.8 mm? -63.06 -41.82 99.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.652 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.458 ' OG1' ' CD1' ' A' ' 58' ' ' ILE . 26.3 m -50.52 -22.07 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.41 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -62.2 -44.01 97.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.738 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 77' ' ' VAL . 10.9 mp -62.0 -40.06 94.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.386 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -55.01 -54.91 37.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.767 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 78' ' ' THR . 14.8 pt-20 -67.52 -25.19 65.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.958 0.408 . . . . 0.0 110.68 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -66.61 -32.56 73.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 73' ' ' LEU . 11.9 t -58.53 -45.54 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.818 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 75' ' ' GLU . 24.3 p -53.55 -39.77 65.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.368 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 m -64.94 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.161 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.05 71.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.3 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.704 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 5' ' ' PHE . 96.6 mt . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 120.915 0.388 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.525 ' N ' HG22 ' A' ' 4' ' ' ILE . 18.4 m-85 -96.11 117.0 29.85 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.36 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.1 p -80.13 164.41 23.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.423 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.28 -29.0 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.64 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -57.21 -39.21 74.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.68 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' OE1' ' CD2' ' A' ' 5' ' ' PHE . 97.1 mt-10 -68.19 -40.65 82.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.603 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.1 mm? -64.87 -41.95 95.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.19 -43.74 98.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.4 -42.01 93.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -69.92 -35.09 74.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.703 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 16' ' ' VAL . . . -68.05 -10.33 52.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.438 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -51.74 -13.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.501 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' A' ' 14' ' ' ALA . 83.4 t -68.29 -42.4 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.392 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -126.69 157.17 39.74 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.453 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.0 122.21 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -48.49 148.3 3.55 Favored Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.937 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.59 146.04 78.16 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.66 2.24 . . . . 0.0 111.951 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' ' 23' ' ' ALA . 96.0 mt -78.37 154.92 5.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.603 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' N ' HG22 ' A' ' 21' ' ' ILE . . . -73.07 32.3 0.77 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 21' ' ' ILE . . . -74.82 -158.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.486 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.0 p -75.09 -18.64 60.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -76.16 -21.64 56.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -64.51 -17.19 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.438 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.57 -18.97 2.8 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mm -66.92 -41.86 88.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.645 0.259 . . . . 0.0 110.58 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.9 mp -89.24 -39.16 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.374 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.98 -47.4 80.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.628 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -61.12 -25.53 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.304 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.0 -42.72 98.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.183 0.516 . . . . 0.0 110.164 -179.742 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -62.87 -35.67 80.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.352 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.583 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.1 mp -63.65 -36.99 85.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.3 t -54.19 -24.4 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.583 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -83.76 -51.4 7.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.818 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -84.99 -4.01 58.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.028 0.442 . . . . 0.0 110.598 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -68.94 146.37 52.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.331 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 43' ' ' GLN . 2.7 mptp? -74.55 166.54 23.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.539 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.97 -61.18 4.06 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.63 -40.8 92.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.695 0.283 . . . . 0.0 110.526 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -67.23 -23.34 65.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.776 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 39' ' ' LYS . 57.3 tt0 -67.12 -36.26 81.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.315 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 44' ' ' ILE . 1.9 mp -66.0 -44.03 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.243 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.96 -41.19 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.401 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.38 96.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -63.85 -41.86 97.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.642 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.63 -43.37 93.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.39 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -66.9 -45.78 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.332 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.59 -37.48 86.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.632 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -55.85 -46.23 78.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.394 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.83 -46.6 81.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.045 0.45 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.91 -44.36 96.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.626 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.51 -45.14 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.636 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -63.66 -41.6 98.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.62 -45.43 90.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.41 -45.98 90.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.464 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -45.38 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.414 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.3 -32.8 74.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 45.6 tp10 -69.61 -41.58 75.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.499 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.41 ' ND1' ' O ' ' A' ' 60' ' ' GLU . 61.0 m-70 -142.35 67.63 20.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.696 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.33 -18.02 16.29 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.771 2.314 . . . . 0.0 111.979 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.2 p -85.56 -16.95 37.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.436 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.7 p -54.7 -102.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.744 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.07 -38.13 0.42 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -64.98 -35.69 81.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.733 0.302 . . . . 0.0 110.472 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 70' ' ' LEU . 7.8 m120 -61.6 -30.97 71.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.459 ' O ' HG22 ' A' ' 71' ' ' THR . 98.4 mm-40 -46.89 -20.26 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.5 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' ASN . . . -84.37 -30.58 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.387 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' ASN . 97.5 mt -66.74 -39.3 87.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.784 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 68' ' ' GLN . 1.2 t -58.38 -28.71 65.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.637 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -61.45 -38.2 86.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.148 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 77' ' ' VAL . 15.2 mt -62.69 -40.14 96.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 78' ' ' THR . 88.1 tttt -56.83 -51.57 68.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.036 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.05 -36.01 77.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.993 0.425 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -66.75 -59.94 3.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 78' ' ' THR . 9.5 p -57.67 -43.45 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 74' ' ' LYS . 23.8 p -61.33 -40.51 94.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.7 m -62.01 -40.14 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.4 83.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 -179.608 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.771 0.32 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.485 ' CD1' ' NH2' ' A' ' 13' ' ' ARG . 78.5 m-85 -70.32 134.49 47.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.391 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 p -80.64 158.15 25.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.461 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 8' ' ' GLN . 5.3 p -63.56 -45.53 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.647 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.49 ' N ' HG13 ' A' ' 7' ' ' VAL . 5.3 tm0? -58.05 -46.3 85.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.783 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.05 -35.74 78.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 29' ' ' LEU . 45.7 tp -63.97 -38.75 92.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.498 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -57.49 -35.91 70.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -58.43 -56.73 18.39 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.562 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 90.2 mtm180 -70.69 -38.29 73.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.639 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.46 -8.74 57.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.579 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' O ' ' A' ' 16' ' ' VAL . 65.8 tttm -55.15 -47.26 75.38 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.901 -178.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.877 HG22 ' H ' ' A' ' 17' ' ' PHE . 11.2 p 43.08 -177.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.048 0.452 . . . . 0.0 110.835 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.877 ' H ' HG22 ' A' ' 16' ' ' VAL . 91.1 m-85 -79.07 142.93 36.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.99 137.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -82.17 145.85 53.53 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.875 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.36 143.22 57.35 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 122.348 2.032 . . . . 0.0 111.912 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.755 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -90.88 144.31 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.356 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.19 143.86 4.62 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.48 7.75 6.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.729 0.299 . . . . 0.0 110.688 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.6 p -75.8 -14.83 60.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -69.06 -34.59 75.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -62.38 -17.12 58.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.777 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.04 -39.08 40.27 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.41 ' O ' HD23 ' A' ' 32' ' ' LEU . 96.7 mt -71.06 -24.29 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.654 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' CD2' HD23 ' A' ' 10' ' ' LEU . 45.3 mt -92.21 -29.22 16.56 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.585 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.1 -36.0 80.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.671 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.67 -32.27 73.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.014 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.0 mm? -62.32 -38.69 90.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.24 0.543 . . . . 0.0 109.826 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' OD1' ' OE1' ' A' ' 37' ' ' GLN . 63.8 t0 -63.02 -44.02 97.12 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.067 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.0 mp -69.48 -49.32 55.88 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.852 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 p -59.49 -26.36 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.299 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -80.51 -45.53 17.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.986 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' OE1' ' OD1' ' A' ' 33' ' ' ASP . 87.4 mt-30 -85.71 -14.81 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.662 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -75.51 162.05 28.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.701 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -161.62 140.32 9.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.473 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.29 -124.57 11.21 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 35.6 ptt180 -60.26 -37.32 80.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 111.03 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 91.0 m-20 -64.47 -35.78 82.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.473 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.82 -39.88 87.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.642 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -42.78 96.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.498 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.8 64.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.79 97.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.093 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 m -62.46 -46.36 88.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.007 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -62.95 -47.24 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -67.45 -46.02 74.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.79 -40.93 89.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -55.25 -53.65 53.37 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.394 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -36.93 80.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 0.0 110.215 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.23 -45.66 92.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.301 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.7 mt -67.28 -44.68 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.396 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -62.2 -41.0 97.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.582 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.6 -41.25 98.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.563 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -59.31 -46.38 88.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.44 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.9 -42.9 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.251 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.8 -34.41 71.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.496 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.55 -39.41 70.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.825 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -134.85 67.65 70.58 Favored Pre-proline 0 N--CA 1.467 0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.14 -12.91 19.28 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.863 2.375 . . . . 0.0 112.051 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -90.83 -9.47 46.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.501 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.425 ' OG ' ' OD1' ' A' ' 67' ' ' ASN . 56.4 p -54.82 -104.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.486 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.95 -45.05 0.62 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.507 ' NH2' ' O ' ' A' ' 13' ' ' ARG . 7.9 tpt180 -67.95 -16.73 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.59 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.622 HD22 ' N ' ' A' ' 67' ' ' ASN . 1.2 m120 -61.93 -24.2 66.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.405 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -48.53 -22.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.15 -25.78 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.429 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' ASN . 90.7 mt -68.86 -41.13 78.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -62.24 -20.71 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.05 -38.71 92.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.668 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.15 -41.13 99.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.25 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -57.13 -49.52 75.66 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.22 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.49 -34.6 77.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.594 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -63.69 -55.04 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.69 -47.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.443 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 m -60.87 -45.38 94.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.738 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.8 t -64.45 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.525 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.7 -48.8 72.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.656 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.7 mt . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.503 179.785 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.811 0.338 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -64.6 135.73 56.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.26 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 m -77.81 143.66 37.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.316 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 8' ' ' GLN . 7.7 p -64.21 -47.42 90.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.975 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.563 ' N ' HG13 ' A' ' 7' ' ' VAL . 41.4 mm-40 -55.94 -31.56 63.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.737 0.303 . . . . 0.0 110.753 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -68.46 -61.36 1.87 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.432 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.73 -37.84 79.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 7' ' ' VAL . 63.9 tttp -58.22 -48.82 79.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.802 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.51 -43.77 89.04 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.954 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -70.03 -40.72 75.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.585 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.46 81.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.22 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 17' ' ' PHE . 34.4 mmtm -63.3 -39.97 96.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.4 t 55.94 -77.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.452 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.568 ' N ' ' O ' ' A' ' 15' ' ' LYS . 80.0 t80 -71.77 170.54 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.56 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.524 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -49.03 140.52 9.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.415 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.496 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -67.02 121.01 76.2 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.955 -178.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.63 151.26 36.58 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.997 1.798 . . . . 0.0 112.214 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 21' ' ' ILE . 19.4 tt -91.68 127.68 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.265 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -166.26 -32.74 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 76.46 -29.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.467 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 22' ' ' GLY . 70.5 p -73.52 -25.48 60.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.683 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.411 ' O ' HG22 ' A' ' 28' ' ' ILE . 98.2 m-85 -75.8 -22.07 56.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.638 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -65.2 -20.38 66.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.81 -22.09 11.26 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 25' ' ' TYR . 20.4 tt -68.22 -24.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -90.68 -28.47 18.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.575 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -59.16 -47.88 83.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.458 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.47 ' NE2' ' CD ' ' A' ' 49' ' ' GLU . 8.2 tp-100 -66.68 -46.56 75.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.8 -43.18 99.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.513 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 54.5 t0 -62.69 -36.79 84.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.346 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.6 tp -62.83 -37.65 87.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.553 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.26 -30.02 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.264 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -78.26 -41.83 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -84.05 -19.8 33.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.613 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -78.81 164.89 24.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -163.09 139.07 6.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.58 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.75 -122.28 13.67 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -61.76 -40.69 96.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.929 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 65.1 t0 -62.93 -37.08 85.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.552 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -66.14 -41.05 90.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 0.0 110.486 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.11 -42.71 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.627 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.62 -41.84 64.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.52 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.94 92.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.951 0.405 . . . . 0.0 110.273 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.0 t -62.16 -44.24 97.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.96 -46.56 87.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CD ' ' NE2' ' A' ' 31' ' ' GLN . 80.7 tt0 -67.42 -40.52 85.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.872 0.367 . . . . 0.0 110.503 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.88 -35.69 79.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.351 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.55 ' C ' HD22 ' A' ' 51' ' ' ASN . 0.3 OUTLIER -57.28 -45.95 83.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.654 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -66.01 -40.32 91.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.124 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.57 -51.01 71.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.999 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 98.0 mt -68.32 -44.56 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.96 0.409 . . . . 0.0 110.303 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -62.19 -44.52 96.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.16 -41.09 97.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.46 ' CD2' HD22 ' A' ' 70' ' ' LEU . 75.7 t80 -59.49 -41.98 91.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.343 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.53 -43.66 98.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.348 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 -27.42 67.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.492 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -72.04 -40.46 68.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -137.37 65.54 49.53 Favored Pre-proline 0 N--CA 1.468 0.449 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.604 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.86 -15.74 26.4 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.702 2.268 . . . . 0.0 111.842 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.4 t -80.94 -25.07 37.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.8 p -80.79 151.17 28.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.396 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.89 -12.36 52.95 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.5 tpt85 -61.88 -36.31 80.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.348 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.696 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -60.65 -34.78 74.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.555 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -44.54 -23.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.22 -47.25 44.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.6 mp -64.53 -38.69 91.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.236 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.3 m -52.43 -42.43 64.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.1 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' O ' ' OE2' ' A' ' 75' ' ' GLU . 94.2 mm-40 -62.68 -31.17 72.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.366 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.568 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -64.94 -39.38 93.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.059 0.456 . . . . 0.0 109.877 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.57 -56.23 23.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.497 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 72' ' ' GLN . 2.9 pp20? -66.51 -24.75 66.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.642 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -63.19 -51.11 67.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.93 -46.38 96.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.832 0.349 . . . . 0.0 110.505 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.7 p -62.03 -33.48 74.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.656 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.4 t -62.62 -43.92 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.505 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.59 85.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.807 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 120.739 0.304 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -69.2 132.18 46.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 7' ' ' VAL . 25.1 m -83.4 160.62 21.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.561 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.672 HG13 HD22 ' A' ' 29' ' ' LEU . 72.3 t -64.07 -43.33 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.621 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -54.95 -41.23 70.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.58 -33.35 73.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.918 0.39 . . . . 0.0 110.76 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.17 -18.11 64.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.871 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -54.97 -39.39 68.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.379 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -64.23 -42.07 96.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.374 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -70.18 -35.73 74.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.477 ' C ' ' H ' ' A' ' 16' ' ' VAL . . . -69.89 -10.56 58.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.551 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -51.12 -10.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.397 . . . . 0.0 110.325 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 14' ' ' ALA . 80.1 t -79.78 133.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.379 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -90.62 117.78 29.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.458 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 178.35 65.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.775 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' HZ2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -78.81 115.98 56.26 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.99 -179.627 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -75.26 163.95 33.8 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.326 2.017 . . . . 0.0 112.408 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 mm -60.37 144.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.05 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.38 -129.56 9.57 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.72 48.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.601 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.3 m -79.84 -15.71 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.629 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -70.55 -39.55 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.51 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -63.61 -36.66 84.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.53 ' O ' ' NE2' ' A' ' 31' ' ' GLN . . . -59.61 -28.64 65.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.8 mt -68.52 -24.01 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 110.483 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.672 HD22 HG13 ' A' ' 7' ' ' VAL . 88.1 mt -90.21 -40.57 12.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.561 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.35 -44.36 97.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -64.59 -34.92 79.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.742 -179.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.543 ' O ' HG12 ' A' ' 35' ' ' VAL . 19.8 mt -60.16 -32.9 71.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.087 0.47 . . . . 0.0 109.868 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -71.98 -48.65 43.42 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.805 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.9 mp -66.01 -42.24 89.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.761 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 32' ' ' LEU . 1.3 p -53.01 -25.69 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.929 0.395 . . . . 0.0 110.151 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -80.73 -43.93 19.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.38 -14.19 50.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -76.4 163.19 27.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -165.03 140.47 5.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.765 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.19 -125.49 7.2 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.14 -36.55 82.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.768 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.84 -39.78 95.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 2.7 mm-40 -66.51 -44.07 83.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.38 -43.55 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.464 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' OE1' ' A' ' 49' ' ' GLU . . . -58.75 -41.8 87.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.709 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.88 97.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.6 p -62.0 -31.28 71.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.686 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.79 -44.58 93.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.645 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 45' ' ' ALA . 5.6 mp0 -66.32 -53.09 40.44 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.705 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 50' ' ' LEU . 4.0 mm? -61.8 -42.38 98.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.858 0.361 . . . . 0.0 110.709 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.18 -45.8 93.14 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.424 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -67.37 -47.5 70.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.625 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.64 -47.41 83.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.637 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.74 -45.02 85.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.549 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.11 -45.88 89.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.995 0.426 . . . . 0.0 110.643 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -66.31 -38.22 87.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -58.15 -43.39 87.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.387 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.08 -44.62 99.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.447 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.9 92.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -71.11 -40.63 71.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -136.86 68.31 57.93 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.656 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.1 -14.89 20.79 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.642 2.228 . . . . 0.0 111.951 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.1 p -98.77 2.92 47.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.655 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.6 t -61.37 -43.9 98.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' A' ' 68' ' ' GLN . . . 88.62 -29.12 5.93 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -79.42 -18.15 52.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 49.0 p30 -63.24 -16.86 61.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.701 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.51 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 8.7 mp0 -55.63 -23.03 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.054 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.05 -43.43 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.845 0.355 . . . . 0.0 110.42 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.6 mp -64.35 -42.8 96.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 68' ' ' GLN . 1.7 t -55.18 -28.61 54.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.328 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -64.03 -40.56 96.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.359 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.03 -42.14 97.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.646 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -57.15 -53.71 55.07 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.07 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -67.65 -34.24 76.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.668 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -52.44 64.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.779 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.27 -49.2 85.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.52 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.1 p -62.65 -43.13 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.734 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.1 p -64.91 -37.89 89.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.738 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.34 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.647 179.659 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.46 0.052 0 CA-C-O 120.827 0.346 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -70.06 123.72 22.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.427 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 p -83.29 165.69 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.626 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.0 t -62.11 -47.08 94.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.694 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -56.91 -41.34 77.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -65.02 -49.13 71.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.617 HD23 HD11 ' A' ' 29' ' ' LEU . 4.5 tp -70.22 -20.3 63.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -58.34 -44.24 88.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.465 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.03 -46.34 84.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.644 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 16' ' ' VAL . 92.7 mtt-85 -70.31 -37.34 74.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.713 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.88 -11.94 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.635 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' VAL . 64.4 tttp -64.32 -45.31 88.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.68 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LYS . 35.0 m 34.1 -143.48 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.417 0.448 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -145.75 156.25 43.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.928 0.394 . . . . 0.0 110.674 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.19 58.6 5.3 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.352 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.67 112.68 65.36 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.432 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.98 142.21 65.49 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.439 2.093 . . . . 0.0 112.017 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.5 pt -84.64 145.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.619 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.47 -128.36 0.94 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.38 -19.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.594 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.8 p -79.75 -15.73 56.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -70.92 -44.61 65.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.638 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -66.66 -29.33 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.33 -33.7 85.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.409 ' O ' HD13 ' A' ' 32' ' ' LEU . 97.0 mt -70.13 -23.89 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.617 HD11 HD23 ' A' ' 10' ' ' LEU . 4.0 mm? -91.96 -38.51 12.22 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.546 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.19 -26.57 67.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -67.49 -35.09 78.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.631 ' O ' HG12 ' A' ' 35' ' ' VAL . 9.2 mp -61.28 -44.23 97.58 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.426 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.98 -38.63 91.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.985 0.421 . . . . 0.0 110.629 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.45 -18.98 62.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.776 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 32' ' ' LEU . 1.4 p -55.53 -27.54 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.522 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -85.48 -34.2 21.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.215 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -82.0 -25.29 34.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.63 140.03 49.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.47 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.518 ' HG2' ' H ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -77.66 -179.93 6.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.55 -25.21 34.3 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -83.96 -60.59 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.751 0.31 . . . . 0.0 110.851 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.518 ' H ' ' HG2' ' A' ' 39' ' ' LYS . 38.8 t0 -64.39 -33.25 75.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 58.1 tt0 -61.91 -44.31 97.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.81 -43.66 93.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.465 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.87 -29.12 68.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.67 98.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.343 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.4 t -64.65 -43.47 93.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -61.85 -39.0 90.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.415 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.83 -52.96 57.78 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.724 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.5 mp -68.98 -21.57 64.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.018 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -50.3 -57.23 8.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.263 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -66.41 -40.17 89.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.009 -179.449 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.35 -46.59 88.0 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.3 mt -67.03 -46.04 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -63.68 -40.95 98.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.998 0.428 . . . . 0.0 110.799 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.89 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.389 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -48.93 79.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 58' ' ' ILE . 3.5 mp -65.26 -43.86 95.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.492 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.88 99.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -73.91 -38.26 64.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -134.56 66.97 71.14 Favored Pre-proline 0 N--CA 1.463 0.209 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.719 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ILE . 54.0 Cg_endo -72.73 -22.97 19.87 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.671 2.248 . . . . 0.0 112.014 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.0 m -69.74 -24.14 63.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.452 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -77.83 107.14 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.604 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.45 -33.83 88.28 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -59.61 -35.11 73.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.351 . . . . 0.0 110.6 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 69' ' ' ALA . 1.5 t-20 -60.99 -38.75 87.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.451 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -45.64 -20.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.479 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' ASN . . . -69.73 -33.09 71.99 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.46 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.8 mm? -64.36 -35.62 81.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.574 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.8 m -61.26 -28.41 69.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.759 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -62.19 -31.43 71.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.599 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 mt -61.17 -41.49 96.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -59.17 -43.69 92.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.344 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.84 -42.58 85.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.586 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -63.81 -54.8 29.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.608 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.48 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.433 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.5 m -61.19 -46.84 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.5 m -63.5 -37.85 88.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.63 84.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 -179.833 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.5 mm . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.88 0.371 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -61.13 138.27 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.32 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 7' ' ' VAL . 24.1 m -79.62 158.38 27.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.616 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.459 ' N ' HG22 ' A' ' 6' ' ' THR . 79.8 t -64.05 -42.81 96.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.797 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -45.72 -35.82 4.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.703 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.43 -40.46 85.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.0 mm? -66.83 -36.99 83.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.744 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -59.16 -40.54 85.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.541 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.34 -44.87 93.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.418 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 16' ' ' VAL . 33.8 mmt180 -68.99 -35.96 77.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.68 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.2 -8.93 56.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.578 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -54.13 -31.01 51.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.472 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 13' ' ' ARG . 11.6 m -78.02 135.93 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -71.73 141.49 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.07 -73.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -88.98 157.87 47.9 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.764 -179.647 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -50.41 144.5 24.1 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.214 1.943 . . . . 0.0 112.123 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.3 mm -76.05 130.84 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.465 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 24' ' ' SER . . . 82.1 179.45 52.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 61.29 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.494 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 22' ' ' GLY . 37.5 m -75.65 -33.04 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -69.23 -44.97 70.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 110.48 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -70.72 -37.09 73.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.03 -49.46 40.85 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 24' ' ' SER . 3.6 tp -69.49 -25.07 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.172 0.511 . . . . 0.0 110.671 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tt -89.65 -45.94 8.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.912 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 67.9 t0 -63.46 -37.77 88.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.756 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.433 HE21 ' CB ' ' A' ' 46' ' ' ALA . 69.7 tp60 -59.02 -35.56 73.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.632 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.43 -39.3 90.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.85 0.357 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.15 -40.37 93.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.899 0.38 . . . . 0.0 110.208 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 34' ' ' LEU . 4.2 mm? -64.65 -38.13 89.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.756 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.9 t -54.9 -22.6 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -81.46 -46.97 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.796 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -83.13 -21.25 33.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.702 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -74.84 141.38 44.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -142.74 145.17 33.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.143 0.496 . . . . 0.0 110.663 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.37 -126.77 19.77 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -42.71 93.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.194 0.521 . . . . 0.0 110.618 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -56.36 -44.24 79.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.408 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -67.13 -39.56 86.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.374 . . . . 0.0 110.588 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.07 -42.95 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.503 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.47 -42.34 70.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' CB ' HE21 ' A' ' 31' ' ' GLN . . . -62.87 -39.02 93.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.183 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -63.22 -44.87 94.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.78 -44.23 97.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -65.92 -51.72 56.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.04 -35.1 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.537 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 29.5 t30 -51.87 -42.06 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -63.47 -45.12 92.24 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.791 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 53' ' ' LYS . 10.9 mptt -64.64 -44.68 89.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.564 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.47 -45.85 88.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.451 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.537 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 62.6 m-20 -63.43 -42.75 98.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.462 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 66.4 t0 -64.86 -38.38 90.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.582 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD2' HD12 ' A' ' 70' ' ' LEU . 41.7 t80 -56.99 -38.24 72.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.345 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.95 -43.82 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.331 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.38 75.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.87 -14.37 62.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.503 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.524 ' CD2' ' OG1' ' A' ' 63' ' ' THR . 8.5 t-160 -135.63 71.33 65.2 Favored Pre-proline 0 N--CA 1.464 0.226 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.324 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -53.61 -37.05 82.96 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.786 2.324 . . . . 0.0 112.184 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.524 ' OG1' ' CD2' ' A' ' 61' ' ' HIS . 34.0 p -69.68 -15.71 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.481 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m 68.48 -177.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 135.7 -80.79 0.3 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.9 mmt-85 -79.74 -10.76 59.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.799 0.333 . . . . 0.0 110.674 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' ALA . 4.5 m120 -62.56 -38.65 90.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -44.35 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.624 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ASN . . . -82.36 -61.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.646 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 57' ' ' TYR . 66.4 mt -65.26 -41.61 94.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 84.4 m -59.67 -44.82 93.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.13 -27.53 69.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.711 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 73' ' ' LEU . 1.3 tt -61.97 -42.38 99.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.019 0.438 . . . . 0.0 110.142 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.41 -47.32 86.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.625 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.05 -34.46 74.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.442 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -64.02 -55.64 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.35 -44.79 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.372 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.1 m -60.21 -42.99 96.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.644 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.5 t -62.03 -39.7 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.429 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.53 -40.59 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.759 179.675 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.697 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.5 pp . . . . . 0 C--O 1.222 -0.352 0 CA-C-O 121.19 0.519 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CD2' ' N ' ' A' ' 6' ' ' THR . 59.7 t80 -108.14 171.33 7.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.693 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.568 ' N ' ' CD2' ' A' ' 5' ' ' PHE . 4.5 m -57.37 147.91 24.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 11' ' ' LYS . 7.8 m -61.77 -23.92 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.674 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -52.17 -43.88 64.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.685 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -69.58 -47.08 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 14' ' ' ALA . 4.8 tp -71.27 -21.29 62.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' VAL . 29.3 ttmt -57.72 -45.94 85.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.693 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -66.29 -45.44 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.815 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -76.21 -23.3 54.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -74.55 -10.39 59.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.738 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.7 tttt -62.78 -45.64 91.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.681 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' LYS . 33.1 m 34.37 -148.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 123.353 0.408 . . . . 0.0 110.715 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.68 147.24 26.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.028 0.442 . . . . 0.0 110.614 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.13 -168.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.435 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -90.96 160.73 37.26 Favored Pre-proline 0 N--CA 1.452 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.617 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.61 144.73 91.92 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.497 2.131 . . . . 0.0 112.225 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.92 134.18 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.653 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.17 -132.63 12.98 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.82 13.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -80.04 -15.98 56.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -74.61 -28.57 60.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -64.71 -38.7 91.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.64 -41.04 97.19 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.5 mt -69.72 -23.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.698 0.285 . . . . 0.0 110.482 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -90.48 -22.44 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 110.49 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.76 -37.08 86.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -63.16 -32.88 74.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' O ' HG12 ' A' ' 35' ' ' VAL . 11.1 mp -60.59 -36.39 78.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.201 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -69.83 -48.02 60.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.069 0.461 . . . . 0.0 110.611 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' GLN . 4.0 mm? -64.86 -44.88 88.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.706 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -45.68 -24.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.582 -178.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.72 -35.02 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.946 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 58.2 tt0 -83.16 -19.06 37.32 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.202 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.68 140.75 53.62 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.833 0.349 . . . . 0.0 110.474 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -143.26 146.48 33.66 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.27 -127.5 14.59 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -67.74 -19.89 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.718 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -63.78 -38.96 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.523 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -66.48 -40.74 89.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.702 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.07 -42.38 95.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.121 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.31 59.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.327 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -22.76 66.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.265 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 t -65.4 -55.23 19.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.08 -34.07 77.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.94 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -62.95 -63.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.345 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.8 mm? -63.54 -31.23 72.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -51.77 -61.09 2.47 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.232 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -67.0 -37.2 83.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.345 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.81 -48.02 80.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.775 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.27 -44.47 94.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.453 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -63.15 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.458 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.87 -41.68 99.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.534 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -61.09 -36.6 80.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.698 HD11 ' OG1' ' A' ' 71' ' ' THR . 96.4 mt -62.09 -43.28 97.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.103 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.8 81.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -74.0 -4.1 33.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.634 ' CG ' ' ND2' ' A' ' 67' ' ' ASN . 13.4 m80 -135.0 68.7 70.76 Favored Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -72.9 -12.43 26.17 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.679 2.252 . . . . 0.0 111.902 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.416 ' O ' ' CB ' ' A' ' 64' ' ' SER . 17.5 p -95.27 2.42 54.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.206 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 63' ' ' THR . 0.7 OUTLIER 77.02 151.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.522 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.53 -146.66 10.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -59.64 -32.03 70.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.781 0.324 . . . . 0.0 110.615 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.634 ' ND2' ' CG ' ' A' ' 61' ' ' HIS . 92.7 m-20 -61.98 -39.82 93.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.396 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -53.11 -38.85 62.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.414 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.21 66.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.334 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.97 -40.0 94.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.479 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.698 ' OG1' HD11 ' A' ' 58' ' ' ILE . 24.5 m -54.22 -23.06 13.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.433 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -65.5 -38.08 88.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.693 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.54 -23.16 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.712 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.81 -45.79 88.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.029 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.76 -21.92 61.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.265 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -57.84 -60.32 3.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.531 HG21 ' N ' ' A' ' 4' ' ' ILE . 61.1 t -57.85 -41.45 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.743 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.4 m -43.48 -45.68 6.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.336 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.4 t -72.88 -33.9 66.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.909 0.385 . . . . 0.0 110.401 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -59.58 -50.82 72.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 ttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.12 -39.58 98.15 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -157.91 -63.11 0.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.762 0.315 . . . . 0.0 110.694 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.9 mm -92.95 135.7 27.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.574 ' HB2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -61.52 130.06 44.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 0.0 110.696 -179.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 m -80.51 145.48 31.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.995 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.27 -46.89 95.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -61.51 -40.7 95.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.908 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -66.39 -36.84 83.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.442 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD23 ' CD2' ' A' ' 29' ' ' LEU . 46.7 tp -64.46 -38.96 92.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.46 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.53 -37.18 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.739 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.98 -55.66 31.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.696 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.569 ' NH2' ' CB ' ' A' ' 69' ' ' ALA . 83.1 mtp180 -70.47 -37.63 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.619 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.56 -9.77 58.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.809 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' PHE . 88.8 tttt -58.85 -45.42 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.55 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.3 t 45.88 -87.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 15' ' ' LYS . 78.2 t80 -134.1 141.49 47.16 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.182 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.05 112.65 0.46 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -134.31 154.27 79.83 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.732 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -53.71 147.3 40.77 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 121.878 1.719 . . . . 0.0 112.381 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.7 mt -79.17 130.22 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.338 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -70.7 -39.79 66.27 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 76.18 -67.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.667 0.27 . . . . 0.0 110.527 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 t -78.14 -20.26 52.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.782 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -75.06 -17.19 60.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.67 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -55.42 -16.34 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.19 -24.38 28.73 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.2 tt -69.5 -23.24 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD2' HD23 ' A' ' 10' ' ' LEU . 40.0 mt -89.35 -31.09 17.95 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.365 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.02 -26.0 68.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.228 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.88 -38.02 89.53 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.692 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 35' ' ' VAL . 8.0 mp -61.35 -49.62 76.2 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.429 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.69 -38.8 64.75 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' HIS . 38.8 tp -62.42 -40.72 97.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.871 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.793 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.5 p -42.73 -19.28 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.156 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 34' ' ' LEU . 80.3 m80 -75.26 -11.57 60.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.675 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -85.06 -36.7 21.04 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.876 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 43' ' ' GLN . . . -76.65 152.54 35.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 36' ' ' HIS . 43.2 mmtm -147.76 157.17 43.41 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 110.196 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.45 -167.9 37.74 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 9.5 ptm180 -66.08 -22.72 66.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.843 0.354 . . . . 0.0 110.702 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.05 -35.45 80.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.906 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.555 HE21 HG22 ' A' ' 35' ' ' VAL . 59.7 tt0 -65.47 -55.21 19.17 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.078 0.465 . . . . 0.0 110.552 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 47' ' ' SER . 48.3 mt -71.85 -42.28 69.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.878 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 41' ' ' ARG . . . -50.67 -32.6 19.69 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.824 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -60.25 -31.1 69.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 44' ' ' ILE . 60.2 p -55.13 -34.33 63.65 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.709 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -79.77 -18.15 51.73 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.09 -66.42 0.56 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.81 -21.14 64.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.9 0.381 . . . . 0.0 110.971 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -40.37 -58.55 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.203 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -65.56 -42.32 91.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.981 0.419 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -62.98 -31.47 72.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.262 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.612 HG22 HG23 ' A' ' 71' ' ' THR . 5.6 mt -63.9 -24.84 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -49.8 -19.94 0.76 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.123 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.29 -37.75 88.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.631 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CE2' ' NZ ' ' A' ' 74' ' ' LYS . 37.7 m-85 -55.94 -43.01 77.04 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.735 HD11 HG21 ' A' ' 71' ' ' THR . 91.7 mt -63.56 -43.56 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.562 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.25 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.717 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.99 -41.33 71.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -138.25 65.28 42.24 Favored Pre-proline 0 N--CA 1.467 0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.58 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.85 -19.18 21.16 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.583 2.189 . . . . 0.0 112.109 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.4 p -73.29 -25.8 60.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.688 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.8 t -83.12 138.88 33.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.62 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.21 -14.56 74.16 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -65.16 -35.47 81.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.5 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -53.86 -34.78 60.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.195 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.99 -41.24 74.51 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.504 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.569 ' CB ' ' NH2' ' A' ' 13' ' ' ARG . . . -75.17 -48.84 21.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 70' ' ' LEU . 9.1 mp -62.45 -43.93 97.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.647 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.735 HG21 HD11 ' A' ' 58' ' ' ILE . 25.0 m -60.87 -53.17 60.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.824 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -69.1 -42.18 76.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.451 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 73' ' ' LEU . 3.1 tm? -66.03 -55.84 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.422 -0.511 . . . . 0.0 112.014 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' N ' HD13 ' A' ' 73' ' ' LEU . 40.4 mtmt -61.14 -38.87 87.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.275 0.56 . . . . 0.0 109.521 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 54' ' ' ILE . 3.6 tm-20 -53.15 -27.51 21.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.743 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -73.31 -68.58 0.48 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.716 HG13 ' N ' ' A' ' 78' ' ' THR . 13.8 p -87.67 -55.03 6.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.716 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -46.56 -41.65 14.68 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 121.116 -0.99 . . . . 0.0 108.707 -176.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.605 ' O ' ' N ' ' A' ' 81' ' ' LEU . 16.0 m -69.11 -31.37 70.04 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.016 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.824 ' O ' ' HB3' ' A' ' 46' ' ' ALA . . . -46.49 -5.81 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.122 0.264 . . . . 0.0 111.39 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 35' ' ' VAL . 85.6 mt -117.51 -17.05 10.11 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 175.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 79' ' ' SER . . . 56.07 57.2 20.23 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.961 HD22 ' H ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -74.7 -6.45 48.85 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.152 -179.094 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 83' ' ' LEU . 84.2 tt0 57.3 114.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.698 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -60.38 124.47 20.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.162 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -84.81 142.36 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.592 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -151.93 161.17 43.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.453 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -154.0 161.36 42.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.431 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -76.67 128.96 35.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.324 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.57 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.507 ' H2 ' HD12 ' A' ' 81' ' ' LEU . 8.6 ptm . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.402 ' H ' HG22 ' A' ' 77' ' ' VAL . . . -166.08 -65.52 0.03 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 57.9 tt0 -67.56 113.42 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.339 . . . . 0.0 111.104 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -88.23 163.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.745 178.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -58.03 165.3 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.266 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.6 p -74.24 155.76 37.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.13 0.491 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.3 m -67.26 -21.85 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.699 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -49.18 -46.14 45.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.73 -38.34 76.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.9 0.381 . . . . 0.0 110.482 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.24 -41.4 94.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.753 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.67 -40.99 94.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.632 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.07 -50.92 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.747 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -70.91 -37.88 72.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -9.85 58.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.675 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 ttpm? -57.02 -46.11 82.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.652 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 17' ' ' PHE . 21.8 t 39.66 -107.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.606 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' N ' HG12 ' A' ' 16' ' ' VAL . 76.1 m-85 -149.64 152.75 35.92 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.372 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 41.31 84.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -45.81 111.31 1.36 Allowed Pre-proline 0 N--CA 1.45 -0.473 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.385 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.77 146.28 67.39 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.298 1.999 . . . . 0.0 111.81 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.6 tt -66.1 138.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.547 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.0 161.73 52.32 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.1 -136.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.67 0.272 . . . . 0.0 110.551 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.1 t -80.1 -19.6 47.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.763 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 14.1 p90 -75.81 -17.65 59.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.666 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -58.01 -20.42 38.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.32 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.36 -20.8 7.57 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.8 tt -68.11 -24.87 30.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.776 0.322 . . . . 0.0 110.487 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.7 tp -91.15 -27.89 18.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.544 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.33 -41.53 97.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 35' ' ' VAL . 78.3 mt-30 -65.26 -42.31 93.39 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.34 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 HG12 ' A' ' 4' ' ' ILE . 14.1 mt -59.36 -44.44 92.69 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.755 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -68.71 -47.87 65.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.04 0.447 . . . . 0.0 110.507 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.91 -44.27 85.73 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.259 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 31' ' ' GLN . 43.6 t -59.39 -22.85 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.536 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -71.22 -37.21 72.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 1.3 tm0? -88.11 -11.69 46.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.448 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.05 152.6 44.19 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.86 0.362 . . . . 0.0 110.616 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -157.47 141.77 16.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.395 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.22 -149.67 16.66 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -69.4 -27.35 65.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 40.1 p-10 -66.59 -35.6 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.69 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.474 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.6 tt0 -65.93 -39.47 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.49 -43.03 96.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.889 0.376 . . . . 0.0 110.238 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.15 -26.98 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.542 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.54 90.71 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.141 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 t -62.04 -46.14 90.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -63.58 -42.37 98.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.635 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -66.82 -51.58 53.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.492 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.04 -39.06 93.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.46 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.544 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 25.6 t30 -57.4 -50.16 73.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.81 -43.12 97.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.59 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -63.49 -47.61 81.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.582 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -66.21 -44.58 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.544 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 90.3 m-20 -62.55 -41.57 98.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.592 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.06 -38.9 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.583 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -57.49 -38.14 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.415 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' PRO . 97.3 mt -62.12 -43.42 97.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.304 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.49 79.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.453 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.14 -41.46 63.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -135.02 65.24 64.72 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.559 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' ILE . 55.6 Cg_endo -72.94 -21.09 21.39 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.698 2.265 . . . . 0.0 112.018 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.65 -22.82 34.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.441 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.0 m -67.56 142.46 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.461 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.76 -16.61 65.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -67.29 -35.25 79.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.802 0.334 . . . . 0.0 110.827 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 50.3 p30 -61.28 -18.74 59.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.597 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.458 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 86.3 mt-30 -63.41 -39.31 94.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.401 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.4 -20.9 39.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.321 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.61 -40.89 69.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 68' ' ' GLN . 2.7 t -66.0 -20.56 66.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.69 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.68 -31.3 72.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.621 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.47 -39.4 87.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.738 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.491 ' O ' HG12 ' A' ' 77' ' ' VAL . 63.8 tttm -59.13 -46.33 88.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.429 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 78' ' ' THR . 71.1 mm-40 -71.65 -35.56 70.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.933 0.397 . . . . 0.0 111.117 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.41 -40.12 95.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.045 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -50.07 -42.15 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.122 -178.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.452 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 12.1 p -68.18 -38.07 81.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.108 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.1 m -67.31 -39.24 85.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.606 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 3' ' ' GLN . . . -55.42 -54.41 44.14 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.74 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.507 HD12 ' H2 ' ' A' ' 1' ' ' MET . 57.7 mt -74.06 -31.98 63.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.92 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.58 54.98 2.26 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 83' ' ' LEU . 4.3 mm? -65.39 -40.77 93.86 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.947 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 60.51 36.06 20.08 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.093 0.473 . . . . 0.0 110.383 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -63.33 -39.05 93.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -58.04 138.87 55.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -57.98 -44.44 87.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.599 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -149.63 137.39 20.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.462 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -68.56 -57.19 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 80.4 t60 . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.413 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.15 -87.36 0.13 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 41.79 91.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.704 0.288 . . . . 0.0 110.635 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 5' ' ' PHE . 96.6 mt -136.56 158.71 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.892 0.377 . . . . 0.0 110.408 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.521 ' N ' HG22 ' A' ' 4' ' ' ILE . 64.2 m-85 -71.86 140.28 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.6 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -76.68 144.94 39.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.73 -42.34 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -51.98 -33.73 39.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.619 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -65.89 -41.54 91.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.652 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.1 mp -65.54 -38.15 88.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.84 -42.31 93.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.15 -49.42 69.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -70.7 -34.85 72.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.638 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -10.08 58.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.614 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.5 tttt -65.44 -47.37 76.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LYS . 1.5 m 30.05 -105.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 123.436 0.46 . . . . 0.0 110.693 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.412 ' O ' ' O ' ' A' ' 18' ' ' ALA . 97.1 m-85 -111.61 120.78 43.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.424 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . 52.55 172.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.652 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -88.92 156.95 49.24 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.717 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.95 139.89 32.52 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 122.027 1.818 . . . . 0.0 112.119 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.669 ' H ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -79.48 141.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.677 179.742 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 24' ' ' SER . . . 78.23 -20.49 3.97 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 21' ' ' ILE . . . 52.52 6.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.607 0.241 . . . . 0.0 110.732 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 22' ' ' GLY . 19.3 m -82.27 -16.96 47.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.937 0.398 . . . . 0.0 110.606 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.411 ' O ' HG22 ' A' ' 28' ' ' ILE . 91.9 m-85 -75.04 -17.83 60.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.74 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.57 -15.91 3.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.51 -29.82 48.65 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 25' ' ' TYR . 20.1 tt -69.38 -23.9 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 0.0 110.502 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.7 mt -90.09 -41.78 11.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.332 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.89 -36.31 82.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.765 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -63.65 -31.38 72.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.811 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 32' ' ' LEU . 87.9 mt -61.4 -40.18 93.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.263 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.8 -35.97 79.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.859 0.361 . . . . 0.0 110.412 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.5 mp -65.34 -31.12 72.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.656 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.7 -42.76 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.515 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -71.77 -38.33 70.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.661 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -81.92 -25.45 34.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.518 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -76.02 158.09 32.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -154.88 147.1 23.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.224 0.535 . . . . 0.0 110.714 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.95 -128.22 28.55 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.459 ' HD3' ' H ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -62.11 -34.49 76.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.873 0.368 . . . . 0.0 110.599 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.31 -41.01 98.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.422 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.5 -40.78 89.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 110.644 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.5 -42.8 96.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.333 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.28 -42.68 66.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.96 96.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.127 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.45 ' OG ' ' CG1' ' A' ' 77' ' ' VAL . 70.4 m -62.06 -43.52 98.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.904 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -61.88 -46.56 88.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -69.43 -42.63 74.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.36 -39.39 92.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.454 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.57 -41.85 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.126 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.98 -45.13 90.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -63.65 -44.54 93.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.642 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.0 mt -67.05 -46.92 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.448 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.6 -42.28 95.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.87 -38.35 90.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.548 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -57.02 -42.33 80.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.314 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' PRO . 97.6 mt -62.81 -44.17 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.1 85.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -71.79 -40.64 69.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.767 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -136.9 65.97 54.01 Favored Pre-proline 0 N--CA 1.466 0.354 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.588 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ILE . 56.1 Cg_endo -72.56 -23.49 19.84 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.647 2.231 . . . . 0.0 111.851 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.2 p -78.76 -24.12 44.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.62 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 m -72.06 143.15 49.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.402 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.25 -9.35 73.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -67.35 -36.7 81.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.836 0.35 . . . . 0.0 110.598 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -58.78 -17.27 21.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.425 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -58.65 -46.73 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.643 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.55 -36.58 68.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.987 0.422 . . . . 0.0 110.474 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.18 -38.6 91.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.1 m -62.88 -25.96 68.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.672 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -62.34 -30.54 71.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.917 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 73' ' ' LEU . 10.8 mp -61.85 -40.94 97.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.285 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -59.95 -45.29 93.12 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.496 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.75 -44.31 81.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.88 -53.57 48.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.604 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.45 ' CG1' ' OG ' ' A' ' 47' ' ' SER . 78.9 t -61.43 -46.57 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.444 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.2 m -60.33 -44.56 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.0 p -64.22 -32.49 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.485 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.32 85.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.651 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt -66.16 -29.96 70.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.44 23.94 48.93 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.61 -39.93 92.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.712 0.292 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -110.67 101.48 10.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.229 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.527 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 22.3 t-160 -64.92 -44.24 90.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.398 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 85' ' ' HIS . 25.3 m80 -162.35 42.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.576 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -59.28 -42.97 92.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.683 ' CD2' ' H ' ' A' ' 90' ' ' HIS . 82.5 t60 -56.5 158.96 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.532 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -61.69 -44.21 97.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.643 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.683 ' H ' ' CD2' ' A' ' 88' ' ' HIS . 85.0 t60 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.605 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.8 14.19 78.17 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -56.54 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 0.0 110.624 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.4 mt -90.23 132.52 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.25 134.22 56.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.111 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 7' ' ' VAL . 27.2 m -100.99 168.33 9.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.404 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.601 ' N ' HG22 ' A' ' 6' ' ' THR . 73.7 t -60.71 -45.36 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.564 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.691 HE22 ' NZ ' ' A' ' 11' ' ' LYS . 99.5 mm-40 -53.14 -39.49 63.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 110.64 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -70.28 -33.57 71.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.808 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.0 -19.98 61.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.205 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.691 ' NZ ' HE22 ' A' ' 8' ' ' GLN . 98.0 mttt -58.18 -39.02 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.552 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.19 -41.0 99.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -70.3 -39.05 75.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . -75.85 -9.58 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.671 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.18 -41.71 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 16' ' ' VAL . 11.3 m -75.99 -22.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.713 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 14' ' ' ALA . 64.9 m-85 -98.11 146.36 25.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.363 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.24 72.71 1.01 Allowed 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.078 0.466 . . . . 0.0 110.511 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.616 ' CD ' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -91.25 166.26 19.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.282 -179.308 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.87 147.79 79.41 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.363 2.042 . . . . 0.0 112.16 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.2 mm -75.02 132.7 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.367 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.8 95.57 0.95 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.33 -167.78 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 m -77.06 -22.06 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.539 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -70.68 -37.9 73.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.508 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -64.01 -29.97 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.411 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.96 -34.3 88.42 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.86 -25.28 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.675 0.274 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD11 HG22 ' A' ' 7' ' ' VAL . 24.9 tp -91.87 -42.18 10.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.826 0.346 . . . . 0.0 110.54 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -60.18 -49.23 78.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.619 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.25 -25.66 67.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.232 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.44 -41.83 94.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -61.72 -37.0 82.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.0 mp -64.4 -37.73 88.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.695 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.8 t -54.2 -26.14 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.599 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -81.95 -46.44 14.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.2 -3.87 58.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.578 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -72.49 142.11 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.705 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 2.4 mptp? -75.64 176.25 7.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.618 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.05 -44.31 73.1 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -74.83 -46.78 34.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.954 0.407 . . . . 0.0 110.785 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -66.24 -31.27 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.962 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.65 -37.25 86.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.468 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.6 mt -64.5 -43.91 96.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.375 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.78 -40.99 85.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.93 89.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.187 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 m -60.8 -41.94 96.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -61.72 -44.79 96.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.655 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -65.78 -49.15 69.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.963 0.411 . . . . 0.0 110.408 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.03 -34.45 78.03 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.726 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -56.55 -52.78 63.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.124 -178.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 53' ' ' LYS . 16.9 ptpt -67.06 -41.16 86.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.364 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 96.3 mttt -63.24 -45.31 92.15 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.758 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.02 -47.41 85.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.621 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -65.19 -43.55 91.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.019 0.438 . . . . 0.0 110.91 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.86 -44.9 91.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.908 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -59.99 -49.84 76.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.433 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.65 -44.62 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.466 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.75 -25.02 67.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.518 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -68.65 -41.9 78.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.573 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CB ' ' HG ' ' A' ' 64' ' ' SER . 40.9 m80 -144.99 71.63 14.82 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.645 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -56.1 -34.6 93.26 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.815 2.344 . . . . 0.0 111.925 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 63' ' ' THR . 85.4 m -73.19 0.85 10.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.697 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.411 ' HG ' ' CB ' ' A' ' 61' ' ' HIS . 58.9 m -56.88 -40.45 76.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.17 -50.59 3.99 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -64.22 -38.91 92.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.853 0.359 . . . . 0.0 110.427 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 70' ' ' LEU . 6.0 m120 -63.98 -19.18 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.205 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.497 ' O ' HG22 ' A' ' 71' ' ' THR . 59.4 tt0 -46.53 -32.54 3.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.497 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.31 -20.68 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.962 0.411 . . . . 0.0 110.58 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' ASN . 5.3 tp -63.16 -40.09 96.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.672 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 68' ' ' GLN . 3.6 t -56.85 -19.08 15.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.278 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -58.59 -39.36 80.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.348 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.1 mt -62.28 -40.63 96.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 51' ' ' ASN . 54.3 tttp -59.88 -47.6 85.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.648 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.6 -44.74 81.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.72 -53.4 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.6 t -61.2 -46.37 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.459 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.9 m -60.82 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.608 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.8 p -64.25 -33.52 76.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.531 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.75 89.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.7 mt -66.33 -30.27 70.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.47 12.97 64.1 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.84 -40.56 88.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.579 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 56.01 -96.85 0.07 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.527 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -82.45 126.26 32.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -165.57 105.68 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -144.46 136.17 25.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.562 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.427 ' O ' ' CG ' ' A' ' 88' ' ' HIS . 86.2 t60 -171.23 60.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.515 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -65.36 -44.71 86.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.521 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.402 ' C ' ' H ' ' A' ' 4' ' ' ILE . . . 167.89 -156.13 27.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.49 9.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.384 . . . . 0.0 110.471 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.402 ' H ' ' C ' ' A' ' 2' ' ' GLY . 89.1 mt -91.39 130.87 39.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.497 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' CD1' ' NE2' ' A' ' 76' ' ' GLN . 5.2 m-85 -72.9 142.45 47.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.556 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -71.39 146.35 48.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.58 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 8' ' ' GLN . 12.6 p -62.64 -36.89 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.657 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' N ' HG13 ' A' ' 7' ' ' VAL . 57.9 tt0 -59.45 -41.76 90.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.06 -46.24 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.617 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.13 -36.81 82.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -58.26 -43.6 87.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.76 -42.15 95.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.635 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.13 -39.23 75.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.661 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.96 -10.43 59.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' PHE . 45.1 tptt -60.79 -43.46 98.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.6 t 46.5 -89.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.617 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 89.1 t80 -151.22 166.14 31.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.579 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.555 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . 52.46 173.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 114.26 13.5 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.06 140.99 23.22 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.537 2.158 . . . . 0.0 112.121 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 21' ' ' ILE . 20.7 tt -91.89 127.8 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.465 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.652 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 41.18 -116.61 0.92 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 81.28 155.76 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.823 0.344 . . . . 0.0 110.447 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.7 p -81.05 -12.89 59.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -67.34 -19.47 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.686 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.62 -22.9 66.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.74 -26.3 60.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mm -69.32 -42.08 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.773 0.32 . . . . 0.0 110.804 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.4 tp -89.76 -36.25 15.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.729 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -60.84 -35.48 76.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.226 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.507 HE21 ' CB ' ' A' ' 46' ' ' ALA . 56.1 tp60 -64.22 -38.41 90.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.473 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD21 HD12 ' A' ' 73' ' ' LEU . 7.3 mt -60.28 -42.77 96.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.785 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 64.6 t0 -62.54 -38.49 90.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.287 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 38' ' ' ALA . 89.4 mt -63.57 -38.96 93.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -42.64 90.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -73.44 -36.17 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -83.84 -24.86 30.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.639 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -77.11 155.07 32.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -156.93 140.71 16.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.45 0.643 . . . . 0.0 110.312 -179.349 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.74 -138.27 14.74 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -63.79 -39.58 94.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 110.67 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 46.2 p-10 -61.12 -24.47 66.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -178.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 59.2 tt0 -67.57 -38.78 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 44' ' ' ILE . 1.9 mp -64.55 -43.58 96.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.65 -54.25 46.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' CB ' HE21 ' A' ' 31' ' ' GLN . . . -63.32 -42.68 99.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.624 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -63.13 -50.21 71.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.919 0.39 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -64.35 -46.45 83.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.765 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -66.56 -37.17 84.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.472 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.11 -39.41 86.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.616 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.675 HD21 ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -57.8 -42.26 83.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.231 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -64.44 -40.35 95.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.779 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.49 -44.62 95.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.778 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -45.18 93.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.541 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.675 ' ND2' HD21 ' A' ' 51' ' ' ASN . 89.4 m-20 -63.32 -45.36 91.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -65.32 -41.71 93.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.788 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -58.32 -43.92 88.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.374 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.25 -44.52 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.18 93.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.503 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -70.27 -41.51 73.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.791 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -138.02 70.1 49.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.74 -15.6 21.34 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.659 2.239 . . . . 0.0 112.086 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.6 p -98.35 1.85 47.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.387 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.4 p -62.32 -34.81 77.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.684 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.85 -39.39 2.72 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -70.41 -19.34 63.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.705 0.288 . . . . 0.0 110.57 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 51.2 p-10 -67.02 -17.66 65.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.607 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.466 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 65.1 tt0 -56.69 -34.5 67.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.07 70.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.3 mp -63.72 -40.92 97.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.896 0.379 . . . . 0.0 110.536 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.8 m -51.22 -36.73 43.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -62.13 -40.04 94.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 73' ' ' LEU . 4.0 mm? -61.92 -40.99 97.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.737 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 78' ' ' THR . 25.7 ttpp -57.58 -47.35 82.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.572 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 78' ' ' THR . 98.5 mt-10 -66.64 -38.14 86.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.64 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.432 ' NE2' ' CD1' ' A' ' 5' ' ' PHE . 81.8 mt-30 -64.64 -45.77 85.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 81' ' ' LEU . 72.4 t -60.4 -46.92 94.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.542 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 74' ' ' LYS . 33.7 p -52.11 -39.79 60.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.58 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 t -68.57 -59.42 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.09 -28.42 69.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.545 ' CD2' HD21 ' A' ' 83' ' ' LEU . 44.4 tp -65.48 -31.95 73.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.556 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.42 54.7 8.45 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.511 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' A' ' 81' ' ' LEU . 93.3 mt -69.66 -25.0 63.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.75 -25.95 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.391 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.4 m170 -55.48 -77.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.5 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -143.72 104.4 4.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 0.0 110.487 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.444 ' O ' ' ND1' ' A' ' 87' ' ' HIS . 53.3 t-80 -151.73 15.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.53 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -90.83 76.1 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.383 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -66.06 -42.24 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.553 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.407 ' ND1' ' O ' ' A' ' 90' ' ' HIS . 29.4 p80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.509 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.0 mmm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.14 18.14 77.03 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -144.79 148.1 33.67 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.923 0.392 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.9 mt -88.31 134.07 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.643 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.0 132.96 52.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.303 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 7' ' ' VAL . 11.2 m -79.09 159.57 27.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.423 ' N ' HG22 ' A' ' 6' ' ' THR . 20.7 m -63.71 -37.78 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.663 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -52.51 -47.09 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.828 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.37 -36.65 77.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.653 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 14' ' ' ALA . 4.8 tp -64.17 -36.23 83.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.66 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.25 -41.74 80.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.735 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.61 -47.05 80.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.663 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -74.58 -23.81 58.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.25 -9.94 59.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.736 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 17' ' ' PHE . 10.2 mtpm? -58.52 -45.41 88.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.7 t 39.24 -90.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.898 0.38 . . . . 0.0 110.95 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' LYS . 90.8 t80 -150.79 163.79 37.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.501 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -63.09 115.45 4.47 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -136.29 149.2 67.16 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.046 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -46.85 142.29 10.78 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.087 1.858 . . . . 0.0 112.247 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 pt -88.8 146.26 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.573 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.99 164.11 34.1 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.29 -25.37 63.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.911 0.386 . . . . 0.0 110.643 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 m -80.24 -18.03 50.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.446 ' O ' HG22 ' A' ' 28' ' ' ILE . 87.4 t80 -70.59 -46.75 62.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -69.01 -16.86 63.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.632 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' C ' ' NZ ' ' A' ' 53' ' ' LYS . . . -52.19 -30.36 31.52 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 25' ' ' TYR . 19.6 tt -69.36 -27.39 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.923 0.392 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -91.35 -39.74 11.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.658 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 64.2 t0 -60.23 -39.14 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.542 HE21 ' CB ' ' A' ' 46' ' ' ALA . 69.7 tp60 -65.19 -36.65 84.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.277 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.27 -51.43 69.6 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.439 -178.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -63.38 -35.83 81.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.378 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.9 tp -62.45 -40.9 98.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.742 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 31' ' ' GLN . 40.9 t -55.34 -22.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.292 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -84.16 -46.02 12.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -85.78 -10.81 54.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.974 0.416 . . . . 0.0 110.568 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -72.2 140.39 48.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 43' ' ' GLN . 31.7 mmtm -81.12 175.15 10.9 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.73 -25.76 9.71 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -86.75 -59.05 2.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.812 0.339 . . . . 0.0 110.664 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -65.64 -28.38 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 56.1 tt0 -64.16 -41.11 97.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.284 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.01 -43.31 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.408 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.06 -35.19 70.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.542 ' CB ' HE21 ' A' ' 31' ' ' GLN . . . -62.49 -36.31 82.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.342 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.4 p -62.19 -45.16 94.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -63.34 -45.94 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -67.39 -48.57 66.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.455 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.69 -40.45 97.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 51' ' ' ASN . 0.8 OUTLIER -59.0 -48.44 81.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.595 -179.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -64.04 -39.76 94.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.359 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.474 ' NZ ' ' C ' ' A' ' 27' ' ' GLY . 37.7 ttmt -62.43 -45.99 90.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.554 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.92 -44.64 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -63.27 -41.14 98.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.86 -39.35 94.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.66 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.78 -43.47 90.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.95 -44.78 99.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.374 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.44 83.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -71.67 -40.57 69.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.619 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -137.5 66.57 50.96 Favored Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.716 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.32 -15.33 22.62 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.762 2.308 . . . . 0.0 111.912 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.1 p -91.99 -15.28 28.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 t -61.08 -44.9 96.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.37 -19.51 8.44 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -72.11 -20.44 61.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.845 0.355 . . . . 0.0 110.59 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' LEU . 88.8 m-20 -65.93 -23.69 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.302 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -44.73 -30.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.617 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.76 -36.81 70.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.285 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' ASN . 58.1 mt -67.18 -37.35 83.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.948 0.404 . . . . 0.0 110.613 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -58.47 -29.98 66.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.71 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.11 -37.66 85.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.74 -40.57 97.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.333 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -56.61 -49.65 74.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.516 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.93 -35.42 78.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.684 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -63.55 -53.38 52.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.655 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.16 -44.05 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.381 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 79.4 m -58.63 -44.72 90.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.1 p -64.96 -34.81 79.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.45 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.24 -27.63 68.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.48 12.21 61.46 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.85 -40.14 83.72 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.595 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 58.4 107.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.316 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.445 ' CD2' ' H ' ' A' ' 85' ' ' HIS . 9.3 p80 -74.59 144.84 43.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.456 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.98 -46.67 88.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.604 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.506 ' CD2' ' ND1' ' A' ' 89' ' ' HIS . 26.5 t60 -166.47 -78.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.519 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 87' ' ' HIS . 77.9 m80 55.41 112.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.658 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.506 ' ND1' ' CD2' ' A' ' 87' ' ' HIS . 46.3 p-80 -152.22 152.93 32.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.434 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.633 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.15 -141.4 47.8 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.425 ' O ' ' OE1' ' A' ' 76' ' ' GLN . 49.3 tt0 -157.58 87.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.642 0.258 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 5' ' ' PHE . 96.4 mt -136.25 157.17 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.403 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.525 ' CZ ' ' OE1' ' A' ' 72' ' ' GLN . 59.9 m-85 -68.59 135.11 50.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.451 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -73.44 149.5 42.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.554 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 8' ' ' GLN . 11.5 p -60.56 -41.16 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.714 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.509 ' N ' HG13 ' A' ' 7' ' ' VAL . 59.2 tt0 -55.18 -41.64 72.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.728 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.23 -35.39 68.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.793 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 92.1 mt -67.39 -29.42 68.93 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.01 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -52.28 -39.63 60.71 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.933 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.14 -58.12 6.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.831 0.348 . . . . 0.0 111.262 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 88.6 mtm180 -70.05 -36.97 75.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . -69.01 -10.02 55.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.492 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.584 ' NZ ' ' CD1' ' A' ' 17' ' ' PHE . 14.8 tmtt? -58.94 -47.05 86.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.721 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.548 ' O ' ' O ' ' A' ' 15' ' ' LYS . 41.9 t 49.81 118.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.32 0.581 . . . . 0.0 111.07 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.584 ' CD1' ' NZ ' ' A' ' 15' ' ' LYS . 87.6 m-85 -67.81 136.73 54.61 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.79 41.82 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.121 0.486 . . . . 0.0 110.535 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -44.93 159.22 0.27 Allowed Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.913 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.32 151.23 53.73 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.425 2.083 . . . . 0.0 112.083 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.6 pt -66.55 152.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.724 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.55 18.44 60.23 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 41.76 77.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.834 0.35 . . . . 0.0 110.776 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -82.12 -15.61 52.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -73.75 -18.62 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.555 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -61.85 -43.99 97.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.579 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.3 -31.25 78.47 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 32' ' ' LEU . 29.5 mm -70.05 -23.35 25.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-O 120.798 0.332 . . . . 0.0 110.538 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tt -92.66 -42.55 9.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.776 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -58.67 -45.55 89.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.545 ' HG2' ' HZ1' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -64.21 -40.81 96.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.154 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 28' ' ' ILE . 3.5 mm? -61.64 -42.57 99.09 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.389 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -65.35 -34.22 77.8 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.043 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 50.9 tp -64.9 -41.92 95.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.014 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -55.98 -27.15 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.352 -178.165 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -79.5 -40.18 30.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.241 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -84.42 -21.98 30.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.617 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -77.4 159.91 29.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -160.88 139.64 10.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.65 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.61 -125.07 9.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 9.6 mpt_? -63.79 -36.44 83.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.803 0.335 . . . . 0.0 110.632 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -62.53 -38.35 89.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.625 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.27 -39.8 89.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.623 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.35 -42.35 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.383 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.31 -40.53 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.99 92.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.533 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.1 t -62.07 -42.77 99.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.27 -46.0 92.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.612 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -67.22 -45.95 75.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.452 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD21 ' CD2' ' A' ' 32' ' ' LEU . 7.5 mt -62.58 -40.74 97.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.723 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -57.6 -43.68 84.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.135 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -64.2 -44.03 93.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.495 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.545 ' HZ1' ' HG2' ' A' ' 31' ' ' GLN . 53.0 mtmt -64.17 -47.75 78.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.699 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.27 -44.95 87.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.403 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -65.02 -43.99 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.08 -38.94 92.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.602 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.32 -40.37 74.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.355 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.92 -44.3 99.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.429 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.52 84.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.95 -41.83 64.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.896 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -135.0 66.22 67.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.523 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.56 -25.14 21.36 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.671 2.247 . . . . 0.0 111.926 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 79.5 p -77.17 -24.27 51.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.432 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.8 t -67.65 141.21 56.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.547 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.88 -17.88 60.69 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 13' ' ' ARG . 47.0 mmm-85 -65.58 -23.95 66.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.59 0.233 . . . . 0.0 110.659 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 57.7 p30 -63.68 -16.78 61.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.49 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 53.1 mt-30 -63.75 -39.58 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.12 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -64.2 -40.78 96.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.866 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -63.08 -24.28 67.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.623 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.525 ' OE1' ' CZ ' ' A' ' 5' ' ' PHE . 56.7 tt0 -66.15 -36.31 82.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 73' ' ' LEU . 11.0 mp -62.3 -40.22 95.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.523 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -58.42 -43.9 88.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.55 -40.47 84.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 3' ' ' GLN . 95.3 mm-40 -64.13 -54.74 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.45 -46.0 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.459 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.6 m -61.0 -44.36 97.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.6 t -63.43 -40.98 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.08 -50.46 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.593 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.8 mt -66.89 -30.58 70.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 14.13 74.39 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 85' ' ' HIS . 88.3 mt -65.33 -41.08 94.33 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.598 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 55.26 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.505 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 83' ' ' LEU . 15.7 p80 -78.54 148.85 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.422 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.471 ' CG ' ' N ' ' A' ' 87' ' ' HIS . 80.7 t60 -153.1 164.92 37.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.471 ' N ' ' CG ' ' A' ' 86' ' ' HIS . 72.3 m80 -79.37 157.96 27.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 89' ' ' HIS . 59.3 t-80 -71.49 129.12 37.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.43 ' O ' ' CE1' ' A' ' 88' ' ' HIS . 37.3 p-80 -72.9 138.0 45.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.623 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.5 m80 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.574 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.2 mmm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.03 -103.71 0.2 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.441 ' O ' ' OE1' ' A' ' 76' ' ' GLN . 89.0 mt-30 -62.86 -33.35 75.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.2 mt -86.85 131.46 34.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' HB2' HD11 ' A' ' 73' ' ' LEU . 68.5 m-85 -67.62 135.86 53.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.41 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 p -79.36 163.75 24.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.476 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 8' ' ' GLN . 5.2 p -61.72 -46.75 95.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.777 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.504 ' N ' HG13 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -47.48 -49.02 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.329 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.87 -35.62 77.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.017 0.437 . . . . 0.0 110.254 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.27 -35.54 81.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.731 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.75 -41.65 91.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.851 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -61.88 -52.67 63.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -70.03 -38.66 75.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.691 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.22 -9.67 58.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.663 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' O ' ' O ' ' A' ' 16' ' ' VAL . 38.3 ttpt -57.04 -46.36 82.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.864 HG22 ' H ' ' A' ' 17' ' ' PHE . 11.8 p 42.98 -177.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 123.706 0.629 . . . . 0.0 111.256 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.864 ' H ' HG22 ' A' ' 16' ' ' VAL . 86.7 t80 -70.05 131.96 45.14 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 17' ' ' PHE . . . 70.45 166.55 0.29 Allowed 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.619 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -98.91 114.07 65.13 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.476 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -53.42 146.91 39.55 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.432 2.088 . . . . 0.0 112.497 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -50.67 136.95 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -75.49 -177.99 42.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 75.11 -67.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.009 0.433 . . . . 0.0 110.496 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -73.99 -38.53 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.573 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -74.78 -22.55 58.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -66.17 -31.87 72.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.746 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.56 -18.07 79.37 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.441 ' O ' HD23 ' A' ' 32' ' ' LEU . 31.7 mm -65.56 -42.52 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 C-N-CA 121.331 -0.148 . . . . 0.0 110.962 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -26.72 18.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.889 0.376 . . . . 0.0 110.823 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.39 -35.21 75.22 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.404 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.566 HE21 ' HB1' ' A' ' 46' ' ' ALA . 64.9 tp60 -66.12 -34.92 79.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.608 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.64 ' O ' HG12 ' A' ' 35' ' ' VAL . 4.1 mm? -62.14 -46.68 87.92 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 68.2 t0 -67.98 -35.33 78.17 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.259 0.552 . . . . 0.0 110.475 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' ALA . 39.0 tp -63.39 -39.44 94.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.265 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -52.97 -28.13 13.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.481 -178.709 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -79.38 -44.21 21.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.619 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -84.99 -8.55 58.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.153 0.502 . . . . 0.0 110.199 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -68.52 142.07 55.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.505 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 43' ' ' GLN . 14.4 tmtt? -72.73 158.48 35.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.83 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . . . -33.87 -74.47 0.07 OUTLIER Glycine 0 CA--C 1.532 1.141 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.34 -42.47 91.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.537 -0.39 . . . . 0.0 110.564 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.63 -24.0 67.36 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.673 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.595 ' N ' ' O ' ' A' ' 39' ' ' LYS . 50.8 tt0 -69.14 -32.28 71.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.435 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.03 -43.05 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.333 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.75 77.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.709 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.566 ' HB1' HE21 ' A' ' 31' ' ' GLN . . . -62.07 -43.77 98.12 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.423 ' OG ' HD11 ' A' ' 81' ' ' LEU . 47.6 m -62.17 -46.86 87.06 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.97 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -63.91 -47.27 81.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.622 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -68.15 -41.08 82.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.47 -36.25 79.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.302 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -57.87 -40.65 80.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.223 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -43.3 95.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.7 -47.28 84.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.443 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.3 -44.35 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.431 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.12 -41.78 98.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.631 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.52 -40.04 95.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.532 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CZ ' ' NE2' ' A' ' 61' ' ' HIS . 46.8 t80 -59.06 -40.72 86.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.327 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.47 -43.13 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.302 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.93 86.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.344 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -76.6 -1.71 28.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.517 ' NE2' ' CZ ' ' A' ' 57' ' ' TYR . 32.2 m80 -127.45 63.08 57.54 Favored Pre-proline 0 N--CA 1.466 0.37 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.455 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.7 -20.99 52.3 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.667 2.245 . . . . 0.0 111.836 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -79.05 -14.77 58.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.404 -179.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m 69.21 149.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.2 -107.21 0.26 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.52 ' NH1' ' H ' ' A' ' 16' ' ' VAL . 24.8 mmt85 -78.76 -10.67 59.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.837 0.351 . . . . 0.0 110.604 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 46.3 p-10 -64.8 -21.19 66.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.401 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 85.7 mt-30 -65.51 -34.73 78.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.62 -39.12 73.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.23 -37.96 86.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.58 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -59.78 -31.83 70.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.881 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -61.42 -39.51 91.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.756 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 73' ' ' LEU . 4.2 mm? -63.16 -40.85 98.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.985 0.422 . . . . 0.0 110.395 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HB3' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -59.46 -49.99 75.64 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.835 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.89 -39.83 79.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.616 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 3' ' ' GLN . 17.7 tt0 -64.67 -51.37 62.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.772 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.39 -47.64 91.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.422 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.8 p -62.54 -42.24 99.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 m -63.89 -36.29 83.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.548 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.51 -46.73 80.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.682 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.423 HD11 ' OG ' ' A' ' 47' ' ' SER . 83.6 mt -66.7 -29.87 69.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.545 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.0 17.93 64.2 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 84' ' ' GLU . 84.7 mt -65.42 -41.58 93.41 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.575 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 83' ' ' LEU . 44.6 tp10 58.92 146.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.384 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' GLU . 65.4 t-80 59.14 146.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.638 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.432 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 47.2 t-80 -58.87 -86.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.644 ' CG ' ' H ' ' A' ' 88' ' ' HIS . 6.5 t-160 43.47 -148.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.644 ' H ' ' CG ' ' A' ' 87' ' ' HIS . 75.7 m80 42.7 49.82 4.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.652 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -59.48 -45.12 92.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.419 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.0 t60 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.542 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ptp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.31 78.69 0.19 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -78.56 -9.8 59.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.4 mt -89.56 138.45 19.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.502 ' CE2' ' NE2' ' A' ' 76' ' ' GLN . 70.0 m-85 -59.0 135.09 57.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -73.6 147.17 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.565 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.7 -45.35 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -55.84 -40.47 72.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.412 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -68.42 -38.39 81.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.58 -35.17 79.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -59.32 -40.69 87.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -58.27 -56.34 23.4 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.818 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -69.95 -37.6 75.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.7 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.17 -8.75 57.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.606 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.8 tttt -63.04 -47.49 82.77 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 15' ' ' LYS . 1.2 m 27.69 -101.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 123.534 0.521 . . . . 0.0 110.677 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.611 ' CZ ' ' NZ ' ' A' ' 19' ' ' LYS . 55.0 p90 -99.84 141.58 32.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.247 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.15 128.86 14.64 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.377 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' NZ ' ' CZ ' ' A' ' 17' ' ' PHE . 12.9 mttm -109.61 149.22 39.58 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.72 139.98 30.56 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.195 1.93 . . . . 0.0 112.269 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 22' ' ' GLY . 34.3 pt -79.39 144.45 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.57 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' ILE . . . 49.95 103.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.25 173.22 14.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.578 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.8 t -72.68 -15.54 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.63 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.639 ' O ' HG22 ' A' ' 28' ' ' ILE . 85.6 t80 -68.72 -34.84 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.473 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.37 -23.0 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.489 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.66 -19.59 62.94 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 25' ' ' TYR . 18.9 tt -66.31 -24.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.779 0.324 . . . . 0.0 110.449 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -92.6 -30.45 15.62 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.458 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 46.5 t0 -62.22 -34.86 77.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.04 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 28' ' ' ILE . 11.7 pt20 -63.31 -37.0 85.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -61.11 -43.23 99.2 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.735 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.47 -35.14 79.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.088 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ALA . 35.4 tp -64.56 -37.48 87.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.409 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.8 t -58.01 -28.23 33.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.325 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -80.79 -45.05 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.66 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -84.44 -8.05 59.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.005 0.431 . . . . 0.0 110.421 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -70.44 144.86 51.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.566 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -73.22 161.15 30.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.429 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.2 -59.12 3.09 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.7 mtm-85 -64.28 -46.0 85.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.771 0.319 . . . . 0.0 110.956 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.24 -21.17 66.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.783 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' A' ' 39' ' ' LYS . 17.6 tt0 -68.0 -38.19 82.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.454 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 44' ' ' ILE . 2.0 mp -64.8 -43.3 96.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.003 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.78 -37.14 70.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.527 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -34.96 77.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.282 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.7 m -55.66 -40.11 71.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.685 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -63.31 -41.34 98.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -65.68 -50.83 63.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.409 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.76 -42.32 98.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.802 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.14 -50.28 74.33 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.566 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.73 -45.44 78.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.28 -47.26 85.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.94 -45.19 91.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.445 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.31 -43.49 94.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.035 0.445 . . . . 0.0 110.492 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.93 -40.34 94.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.659 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -55.26 -39.88 70.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.487 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.425 HD11 ' OG1' ' A' ' 71' ' ' THR . 83.7 mt -62.8 -44.68 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.526 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.1 77.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.643 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.92 -41.18 78.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.787 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.408 ' O ' ' OD1' ' A' ' 67' ' ' ASN . 46.0 m80 -142.32 68.21 21.26 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.26 -19.44 15.3 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.665 2.244 . . . . 0.0 111.913 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.7 m -76.48 -18.06 58.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.702 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.5 m -58.51 -41.68 85.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.696 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.58 -24.25 3.23 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -74.85 -15.03 60.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.683 HD22 ' N ' ' A' ' 67' ' ' ASN . 1.0 OUTLIER -67.76 -19.9 65.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -51.68 -40.31 59.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.582 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.88 -37.16 75.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.895 0.379 . . . . 0.0 110.296 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.96 -40.56 96.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.425 ' OG1' HD11 ' A' ' 58' ' ' ILE . 25.2 m -57.22 -22.92 44.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.477 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -63.01 -31.84 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.642 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 73' ' ' LEU . 10.4 mp -64.01 -38.73 92.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.65 -53.76 50.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -69.4 -27.47 65.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.636 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.502 ' NE2' ' CE2' ' A' ' 5' ' ' PHE . 50.7 tt0 -62.35 -48.42 79.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.08 -47.23 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.0 p -61.76 -44.91 95.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.485 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -64.77 -43.65 92.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.638 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.23 82.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' CD2' ' NE2' ' A' ' 43' ' ' GLN . 61.9 mt -66.58 -27.77 67.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.627 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.92 11.54 78.89 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.6 tp -66.9 -43.87 82.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.677 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 55.62 93.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.586 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -68.68 128.74 37.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.521 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -65.08 -45.56 84.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -167.67 -39.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -150.9 166.65 29.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.466 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -152.82 149.72 28.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.444 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 1' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.31 127.0 0.93 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -95.33 8.07 44.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 0.0 110.465 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 5' ' ' PHE . 92.6 mt -86.33 157.95 3.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.525 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 73' ' ' LEU . 39.5 m-85 -69.12 133.0 47.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.49 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 p -83.33 161.92 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.6 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 8' ' ' GLN . 27.0 m -65.7 -40.49 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.631 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.467 ' N ' HG23 ' A' ' 7' ' ' VAL . 88.8 mt-30 -54.78 -40.98 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.632 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.45 -42.02 88.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.74 -40.65 92.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.74 -41.89 91.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.28 -49.17 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 HH12 ' HB1' ' A' ' 69' ' ' ALA . 90.1 mtm180 -72.38 -22.76 61.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.655 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -11.1 60.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.696 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' VAL . 60.8 mttp -63.61 -43.61 96.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LYS . 33.5 m 34.31 -146.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.427 0.455 . . . . 0.0 110.851 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -98.31 148.84 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.622 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.93 -130.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.622 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -150.69 115.63 3.28 Favored Pre-proline 0 N--CA 1.445 -0.723 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.766 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.77 159.86 38.15 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.734 2.289 . . . . 0.0 112.042 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 21' ' ' ILE . 19.3 tt -84.18 131.17 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.686 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.596 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -79.09 -161.91 22.09 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 76.07 -64.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.831 0.348 . . . . 0.0 110.552 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.1 p -72.91 -40.42 65.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.356 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -79.15 -19.59 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.586 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -66.86 -27.9 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.19 87.94 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.15 -23.44 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.457 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.2 mp -92.03 -45.37 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.283 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -61.46 -31.11 71.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.68 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -62.52 -36.68 83.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.87 -43.1 98.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.311 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.12 -42.47 99.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.144 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.48 -43.38 90.42 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.62 -25.47 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -80.93 -37.36 29.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.326 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -82.74 -22.49 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.339 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.3 158.11 35.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' H ' ' HB2' ' A' ' 42' ' ' ASP . 28.2 tptp -159.21 142.27 14.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.63 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.66 -130.87 10.95 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -66.93 -19.86 65.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' HB2' ' H ' ' A' ' 39' ' ' LYS . 98.0 m-20 -65.38 -35.77 81.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.597 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -66.12 -36.73 83.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.48 -42.9 94.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.71 -39.44 68.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.71 97.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.387 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.6 p -62.88 -34.65 77.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.741 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CE2' ' NZ ' ' A' ' 52' ' ' LYS . 51.0 t80 -61.15 -48.95 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.651 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -70.71 -45.08 65.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.929 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.27 -40.12 92.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.632 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 87.4 m-20 -53.31 -52.0 60.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.584 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.508 ' NZ ' ' CE2' ' A' ' 48' ' ' PHE . 30.8 mtmm -66.07 -45.9 79.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.825 0.345 . . . . 0.0 111.014 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.62 -48.0 82.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -43.84 94.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.38 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.638 ' ND2' ' NZ ' ' A' ' 74' ' ' LYS . 13.7 m120 -62.65 -38.53 90.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.342 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -58.31 -46.59 85.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.401 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.25 -41.41 88.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.639 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.543 HD11 ' OG1' ' A' ' 71' ' ' THR . 96.2 mt -62.82 -44.51 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.333 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.02 93.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.609 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.92 -39.75 63.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 52.6 m-70 -134.17 65.35 68.73 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.586 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.76 -19.81 30.92 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.709 2.272 . . . . 0.0 111.943 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -22.03 28.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.337 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.47 ' CB ' HH21 ' A' ' 66' ' ' ARG . 23.4 m -63.42 144.57 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.401 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.93 -18.91 53.25 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.734 ' HE ' ' H ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -66.76 -37.3 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.678 -0.307 . . . . 0.0 110.743 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 61' ' ' HIS . 51.5 p30 -64.31 -19.09 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.685 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.485 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 99.2 mm-40 -60.09 -42.66 95.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.48 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HB1' HH12 ' A' ' 13' ' ' ARG . . . -76.31 -29.96 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.447 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.0 tp -69.26 -39.05 78.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.09 0.472 . . . . 0.0 110.694 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.543 ' OG1' HD11 ' A' ' 58' ' ' ILE . 24.8 m -64.77 -21.21 66.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.607 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -71.65 -22.8 61.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 5' ' ' PHE . 3.8 mm? -60.81 -48.0 83.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.638 ' NZ ' ' ND2' ' A' ' 55' ' ' ASN . 15.1 ptpt -63.84 -34.69 78.5 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.283 0.364 . . . . 0.0 110.711 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.84 -47.78 79.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.712 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.14 -43.75 90.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 73' ' ' LEU . 70.8 t -60.79 -46.28 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 74' ' ' LYS . 17.0 p -58.64 -40.4 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -63.33 -41.99 98.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.87 96.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.659 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.51 -32.59 74.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.741 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.1 54.98 3.64 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.8 mp -64.42 -37.78 88.71 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -104.83 121.18 43.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.37 . . . . 0.0 110.064 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -71.44 145.03 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.404 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -106.57 126.61 52.49 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.376 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.8 m80 55.29 104.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.564 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -77.43 127.0 31.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.466 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.517 ' CE1' ' ND1' ' A' ' 90' ' ' HIS . 58.5 t-80 -135.51 113.27 10.96 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.587 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.517 ' ND1' ' CE1' ' A' ' 89' ' ' HIS . 74.3 m80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.604 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 ttp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.46 -168.7 41.7 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -63.58 -39.48 94.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.478 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.7 mm -89.84 130.39 39.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.499 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.53 ' CE2' ' NE2' ' A' ' 76' ' ' GLN . 43.3 m-85 -69.83 134.54 48.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.561 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -78.34 150.03 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.93 -46.94 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.62 -40.34 78.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.115 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.74 -47.42 75.32 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.269 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 14' ' ' ALA . 6.2 tp -70.85 -22.37 62.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.665 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.72 -45.94 85.1 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.604 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.93 -44.96 83.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -72.04 -23.22 61.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.48 -13.15 61.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.697 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 16' ' ' VAL . 69.0 mmtt -62.44 -43.56 98.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.701 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.852 HG22 ' H ' ' A' ' 17' ' ' PHE . 12.0 p 45.54 -178.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.988 0.423 . . . . 0.0 110.764 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.852 ' H ' HG22 ' A' ' 16' ' ' VAL . 94.6 m-85 -103.47 120.07 40.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 17' ' ' PHE . . . 58.41 119.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.647 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -152.57 114.91 2.84 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.668 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.97 143.05 41.56 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.737 1.625 . . . . 0.0 112.513 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.8 tt -74.88 137.17 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.328 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -159.68 -26.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 66.3 -6.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.703 0.287 . . . . 0.0 110.64 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.489 ' H ' ' C ' ' A' ' 22' ' ' GLY . 78.0 p -77.5 -17.36 58.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.591 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -77.32 -23.54 50.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -64.98 -32.2 73.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.77 -31.42 78.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.12 -25.44 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.72 0.295 . . . . 0.0 110.621 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.8 mp -91.16 -32.73 15.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.314 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.84 -38.38 88.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.315 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 35' ' ' VAL . 84.4 mt-30 -64.8 -30.02 71.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.11 -46.08 92.07 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.73 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.15 -43.1 92.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.189 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 53.4 tp -63.86 -44.36 93.33 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.532 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 31' ' ' GLN . 37.2 t -55.7 -23.46 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.385 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -79.0 -51.24 9.87 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.451 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -90.23 6.89 40.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.603 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -69.54 145.82 52.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.288 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -71.88 149.86 44.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.994 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' LYS . . . -34.23 -69.66 0.18 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.492 ' H ' ' CE ' ' A' ' 39' ' ' LYS . 60.8 ttm-85 -58.19 -42.79 86.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.449 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -64.32 -29.16 70.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 39' ' ' LYS . 59.6 tt0 -67.36 -37.8 83.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.12 -44.49 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.84 85.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.938 0.399 . . . . 0.0 110.643 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.8 85.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.601 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.0 p -61.8 -42.57 99.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.832 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -64.18 -36.01 82.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -64.14 -51.62 63.01 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.361 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.48 -37.48 87.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.047 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -50.91 -49.11 60.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -43.13 94.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.385 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -62.59 -49.22 76.11 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.782 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.4 -45.29 79.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.833 0.349 . . . . 0.0 110.441 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -62.44 -44.58 96.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.573 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 65.8 t0 -65.59 -38.18 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.595 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CZ ' ' CE1' ' A' ' 61' ' ' HIS . 56.0 t80 -59.38 -41.84 90.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.376 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.53 -43.53 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.1 92.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.443 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.83 -4.32 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.7 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CE1' ' CZ ' ' A' ' 57' ' ' TYR . 49.9 m80 -125.78 66.58 57.51 Favored Pre-proline 0 N--CA 1.467 0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.429 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.73 -15.57 37.25 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.561 2.174 . . . . 0.0 111.978 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 64' ' ' SER . 53.1 p -86.76 -4.77 59.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.646 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 63' ' ' THR . 11.3 t 58.43 148.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.655 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.37 -101.11 0.17 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -82.83 -10.93 58.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.519 ' OD1' ' NE2' ' A' ' 68' ' ' GLN . 25.8 p-10 -66.61 -20.33 65.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' NE2' ' OD1' ' A' ' 67' ' ' ASN . 15.3 mp0 -64.19 -34.96 79.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.174 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.61 -40.6 69.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.763 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 70' ' ' LEU . 9.7 mp -64.82 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.511 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 m -57.2 -35.34 69.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.599 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -61.6 -38.2 86.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.783 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.19 -43.73 98.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 78' ' ' THR . 88.9 tttt -59.77 -44.46 93.86 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.444 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.97 -38.85 89.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.859 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.53 ' NE2' ' CE2' ' A' ' 5' ' ' PHE . 86.3 mt-30 -70.39 -49.05 53.05 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.243 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.43 -50.05 81.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.333 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 74' ' ' LYS . 8.1 t -62.72 -39.68 94.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 78' ' ' THR . 38.2 m -61.72 -35.9 79.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.567 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.28 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.645 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.0 mt -65.92 -28.98 69.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.486 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.29 14.44 62.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 84' ' ' GLU . 75.2 mt -65.71 -41.84 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.721 0.296 . . . . 0.0 110.567 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 83' ' ' LEU . 39.0 tp10 59.43 132.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.7 140.52 40.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.469 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -133.98 127.52 32.53 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.266 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -101.77 117.15 34.26 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.193 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.532 ' CD2' ' H ' ' A' ' 90' ' ' HIS . 67.3 t60 -73.58 150.93 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.539 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -59.63 -42.07 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.532 ' H ' ' CD2' ' A' ' 88' ' ' HIS . 83.7 t60 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.267 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 ptm . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 4' ' ' ILE . . . -173.37 171.88 44.79 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -64.4 72.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.371 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 2' ' ' GLY . 88.7 mt -92.99 131.88 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.601 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -64.99 132.81 50.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 110.39 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -67.01 144.15 56.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.442 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 8' ' ' GLN . 9.1 p -64.28 -37.59 80.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' N ' HG13 ' A' ' 7' ' ' VAL . 56.1 tt0 -58.08 -45.51 87.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.603 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.39 -29.04 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -64.02 -37.14 86.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.485 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HZ2' HG22 ' A' ' 7' ' ' VAL . 64.2 mttp -59.1 -42.54 90.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -36.09 72.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.83 0.348 . . . . 0.0 110.475 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' O ' HG12 ' A' ' 16' ' ' VAL . 17.1 tpt180 -73.88 -39.38 63.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.655 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.15 -19.29 62.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.998 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -61.95 -8.43 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 13' ' ' ARG . 11.7 p -75.41 -33.84 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 90.4 t80 -113.69 140.47 48.21 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.428 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' O ' ' CD2' ' A' ' 17' ' ' PHE . . . -58.67 142.58 49.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -72.1 146.43 89.87 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.57 159.52 53.23 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.527 2.152 . . . . 0.0 112.177 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.12 155.12 7.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.447 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.01 -115.15 4.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.26 49.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.509 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -80.51 -14.82 57.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -73.18 -17.52 61.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.614 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.62 -37.06 80.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.591 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.5 -35.18 90.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.1 mm -69.52 -23.9 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.816 0.341 . . . . 0.0 110.72 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -93.28 -42.4 9.35 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.71 -43.6 98.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.651 HE21 ' NZ ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -63.96 -46.93 82.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 -179.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 28' ' ' ILE . 3.8 mm? -62.33 -40.78 97.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.055 0.455 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.89 -43.93 86.8 Favored 'General case' 0 C--N 1.311 -1.065 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.218 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' ALA . 56.4 tp -69.15 -49.75 54.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.251 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.71 -25.88 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.56 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -78.94 -43.53 24.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.394 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -85.14 -22.35 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.474 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -75.64 163.08 27.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.577 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.94 168.42 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.591 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.66 -145.9 39.4 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -68.49 -22.2 64.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 0.0 110.638 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.449 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 67.0 t0 -63.84 -35.07 79.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.384 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.18 -29.74 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.539 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.69 -42.91 96.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.312 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.12 82.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.627 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.04 93.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.492 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.8 p -62.4 -39.27 92.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.708 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.59 -46.01 91.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.465 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -66.3 -42.87 87.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.385 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 31' ' ' GLN . 38.4 mt -62.25 -39.87 94.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.613 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.47 -40.84 83.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.289 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -64.1 -44.95 90.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.651 ' NZ ' HE21 ' A' ' 31' ' ' GLN . 85.4 mttt -65.14 -47.87 75.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.633 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.36 -45.69 85.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.432 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -64.45 -45.62 86.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.701 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -63.39 -39.73 95.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.636 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.48 -41.64 81.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.49 -43.99 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.435 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.69 80.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.535 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -71.62 -41.14 69.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -137.13 65.86 52.05 Favored Pre-proline 0 N--CA 1.466 0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.41 -22.88 15.74 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.726 2.284 . . . . 0.0 111.94 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.7 p -76.03 -24.76 55.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.5 t -70.21 139.71 52.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.35 -20.38 64.57 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.49 ' NE ' ' H ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -63.79 -34.96 79.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.712 0.292 . . . . 0.0 110.588 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 52.1 p-10 -58.28 -17.18 17.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.47 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 99.3 mm-40 -64.19 -40.7 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.82 -37.3 70.36 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.999 0.428 . . . . 0.0 110.414 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.65 -38.18 90.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.9 m -62.74 -22.71 66.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.677 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.04 -34.19 75.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.682 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.87 -39.14 93.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.741 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.96 -54.76 42.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.676 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.09 -33.98 76.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.663 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.49 -54.07 42.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.3 t -61.96 -44.9 99.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 m -59.35 -44.08 92.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.695 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.7 t -62.72 -39.15 93.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.03 -38.79 76.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.71 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.55 -29.72 69.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.658 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.46 16.3 64.5 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 85' ' ' HIS . 79.9 mt -65.62 -41.13 93.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.644 0.259 . . . . 0.0 110.751 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 57.49 -79.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.513 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 83' ' ' LEU . 95.5 m-70 -79.14 -99.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.671 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 87' ' ' HIS . 86.4 t60 -160.85 169.42 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.446 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.563 ' N ' ' CG ' ' A' ' 86' ' ' HIS . 4.4 p-80 -152.18 156.14 39.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.301 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' A' ' 89' ' ' HIS . 81.0 m80 -108.08 123.54 48.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 88' ' ' HIS . 69.1 m80 -157.65 -101.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.538 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.426 ' OXT' ' CG ' ' A' ' 90' ' ' HIS . 55.7 p-80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.556 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.657 ' N ' ' HB2' ' A' ' 46' ' ' ALA . . . 179.89 138.5 3.39 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.656 ' N ' HG22 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -148.09 -3.34 0.51 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.683 0.278 . . . . 0.0 110.943 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.665 ' O ' HG21 ' A' ' 35' ' ' VAL . 1.3 mp -81.69 162.07 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.065 0.46 . . . . 0.0 110.53 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.539 ' CD2' ' N ' ' A' ' 6' ' ' THR . 28.6 t80 -57.95 167.69 1.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.414 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.539 ' N ' ' CD2' ' A' ' 5' ' ' PHE . 10.1 m -61.33 158.31 14.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.627 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' LYS . 97.2 t -66.36 -22.06 29.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.739 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -54.26 -42.18 69.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -64.21 -48.35 76.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.18 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 10' ' ' LEU . 40.9 tp -71.38 -28.46 64.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.929 0.395 . . . . 0.0 110.624 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 7' ' ' VAL . 15.8 ttmm -59.63 -39.48 84.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.619 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.05 -44.76 95.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.58 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -68.3 -33.78 74.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.78 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.61 -8.52 52.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.568 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -51.45 -36.06 42.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 m -78.61 148.22 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.427 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.549 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 53.1 p90 -70.82 120.44 16.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.669 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 17' ' ' PHE . . . 175.57 66.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.133 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -96.52 114.71 64.91 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.444 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.22 145.14 45.15 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.562 2.175 . . . . 0.0 112.021 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.0 mm -70.51 151.52 9.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.97 12.78 67.71 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 41.09 42.16 1.53 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.832 0.349 . . . . 0.0 110.782 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.5 m -79.86 -16.56 55.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.563 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -78.01 -20.05 53.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.69 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.15 -41.4 99.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.562 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.75 -20.6 76.14 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.46 ' O ' HD13 ' A' ' 32' ' ' LEU . 4.3 mm -70.91 -27.15 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.708 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 mp -92.61 -19.41 21.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.44 -40.1 89.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.393 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -66.71 -35.9 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.712 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 28' ' ' ILE . 9.0 mp -61.89 -43.86 97.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.699 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.62 -31.56 72.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.966 0.412 . . . . 0.0 110.616 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 37' ' ' GLN . 76.4 mt -71.5 -21.97 61.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.665 HG21 ' O ' ' A' ' 4' ' ' ILE . 78.6 t -46.73 -23.84 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.553 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -87.46 -34.45 18.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.594 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' LEU . 87.6 mt-30 -82.08 -34.13 29.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.751 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.84 150.27 42.84 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 110.639 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.75 156.1 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.64 -129.14 48.2 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.38 -40.81 92.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.772 0.32 . . . . 0.0 110.51 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.62 -36.01 75.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.463 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.74 -51.26 51.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.715 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.38 -42.77 96.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.206 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.91 -38.63 57.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.601 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.657 ' HB2' ' N ' ' A' ' 2' ' ' GLY . . . -62.88 -35.57 80.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.382 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.547 ' OG ' HG11 ' A' ' 77' ' ' VAL . 27.3 t -62.65 -55.88 22.9 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.047 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -63.74 -29.26 70.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.758 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.15 -61.73 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.744 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.87 -31.81 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -42.06 -59.83 1.62 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -66.44 -36.05 81.82 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.139 179.075 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -61.13 -44.64 97.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.72 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.21 -47.5 87.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -65.16 -44.63 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 0.0 110.73 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.99 -40.96 91.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.726 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -58.97 -47.59 84.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.483 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.458 ' CD1' ' OG1' ' A' ' 71' ' ' THR . 97.8 mt -63.38 -42.21 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.347 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.79 -26.95 58.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.45 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -71.16 -41.08 70.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.523 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -139.27 66.67 37.99 Favored Pre-proline 0 N--CA 1.464 0.253 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.532 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.02 -11.63 25.5 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.885 2.39 . . . . 0.0 112.026 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -25.9 64.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.311 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.6 t -76.96 129.04 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.476 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.76 -35.14 79.37 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -63.86 -36.42 83.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.603 0.239 . . . . 0.0 110.639 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -60.72 -27.25 67.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.331 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -68.73 -23.27 64.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.012 0.434 . . . . 0.0 110.493 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.13 -24.15 60.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.756 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.8 mm? -63.06 -41.82 99.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.652 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.458 ' OG1' ' CD1' ' A' ' 58' ' ' ILE . 26.3 m -50.52 -22.07 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.41 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -62.2 -44.01 97.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.738 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 77' ' ' VAL . 10.9 mp -62.0 -40.06 94.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.386 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -55.01 -54.91 37.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.767 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 78' ' ' THR . 14.8 pt-20 -67.52 -25.19 65.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.958 0.408 . . . . 0.0 110.68 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -66.61 -32.56 73.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 73' ' ' LEU . 11.9 t -58.53 -45.54 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.818 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 75' ' ' GLU . 24.3 p -53.55 -39.77 65.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.368 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 m -64.94 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.161 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.05 71.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.2 -31.78 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 48.4 35.39 15.17 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.02 -30.91 64.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.676 0.274 . . . . 0.0 110.655 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -126.56 132.84 51.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.298 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -64.29 -43.96 93.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.43 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -86.53 166.13 15.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.53 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -77.54 154.97 31.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.635 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -76.77 140.69 40.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -75.26 149.9 38.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.598 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.5 t60 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.49 179.875 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.08 167.07 15.37 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -154.98 148.11 24.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 0.0 110.46 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 5' ' ' PHE . 96.6 mt -136.61 159.81 37.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.383 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.525 ' N ' HG22 ' A' ' 4' ' ' ILE . 18.4 m-85 -96.11 117.0 29.85 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.36 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.1 p -80.13 164.41 23.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.423 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.28 -29.0 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.64 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -57.21 -39.21 74.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.68 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' OE1' ' CD2' ' A' ' 5' ' ' PHE . 97.1 mt-10 -68.19 -40.65 82.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.603 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.1 mm? -64.87 -41.95 95.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.19 -43.74 98.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.4 -42.01 93.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -69.92 -35.09 74.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.703 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 16' ' ' VAL . . . -68.05 -10.33 52.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.438 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -51.74 -13.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.501 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' A' ' 14' ' ' ALA . 83.4 t -68.29 -42.4 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.392 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -126.69 157.17 39.74 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.453 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.0 122.21 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -48.49 148.3 3.55 Favored Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.937 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.59 146.04 78.16 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.66 2.24 . . . . 0.0 111.951 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' ' 23' ' ' ALA . 96.0 mt -78.37 154.92 5.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.603 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' N ' HG22 ' A' ' 21' ' ' ILE . . . -73.07 32.3 0.77 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 21' ' ' ILE . . . -74.82 -158.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.486 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.0 p -75.09 -18.64 60.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -76.16 -21.64 56.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -64.51 -17.19 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.438 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.57 -18.97 2.8 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mm -66.92 -41.86 88.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.645 0.259 . . . . 0.0 110.58 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.9 mp -89.24 -39.16 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.374 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.98 -47.4 80.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.628 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -61.12 -25.53 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.304 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.0 -42.72 98.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.183 0.516 . . . . 0.0 110.164 -179.742 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -62.87 -35.67 80.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.352 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.583 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.1 mp -63.65 -36.99 85.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.3 t -54.19 -24.4 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.583 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -83.76 -51.4 7.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.818 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -84.99 -4.01 58.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.028 0.442 . . . . 0.0 110.598 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -68.94 146.37 52.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.331 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 43' ' ' GLN . 2.7 mptp? -74.55 166.54 23.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.539 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.97 -61.18 4.06 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.63 -40.8 92.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.695 0.283 . . . . 0.0 110.526 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -67.23 -23.34 65.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.776 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 39' ' ' LYS . 57.3 tt0 -67.12 -36.26 81.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.315 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 44' ' ' ILE . 1.9 mp -66.0 -44.03 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.243 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.96 -41.19 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.401 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.38 96.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.2 p -63.85 -41.86 97.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.642 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.63 -43.37 93.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.39 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -66.9 -45.78 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.332 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.59 -37.48 86.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.632 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -55.85 -46.23 78.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.394 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.83 -46.6 81.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.045 0.45 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.91 -44.36 96.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.626 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.51 -45.14 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.636 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -63.66 -41.6 98.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.62 -45.43 90.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.41 -45.98 90.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.464 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -45.38 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.414 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.3 -32.8 74.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 45.6 tp10 -69.61 -41.58 75.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.499 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.41 ' ND1' ' O ' ' A' ' 60' ' ' GLU . 61.0 m-70 -142.35 67.63 20.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.696 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.33 -18.02 16.29 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.771 2.314 . . . . 0.0 111.979 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.2 p -85.56 -16.95 37.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.436 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.7 p -54.7 -102.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.744 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.07 -38.13 0.42 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -64.98 -35.69 81.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.733 0.302 . . . . 0.0 110.472 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 70' ' ' LEU . 7.8 m120 -61.6 -30.97 71.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' O ' HG22 ' A' ' 71' ' ' THR . 98.4 mm-40 -46.89 -20.26 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.5 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' ASN . . . -84.37 -30.58 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.387 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' ASN . 97.5 mt -66.74 -39.3 87.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.784 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 68' ' ' GLN . 1.2 t -58.38 -28.71 65.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.637 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -61.45 -38.2 86.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.148 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 77' ' ' VAL . 15.2 mt -62.69 -40.14 96.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 78' ' ' THR . 88.1 tttt -56.83 -51.57 68.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.036 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.05 -36.01 77.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.993 0.425 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -66.75 -59.94 3.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 78' ' ' THR . 9.5 p -57.67 -43.45 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 74' ' ' LYS . 23.8 p -61.33 -40.51 94.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.7 m -62.01 -40.14 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.4 83.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.64 -32.66 74.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.32 55.08 2.97 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 83' ' ' LEU . 4.2 mm? -63.98 -40.19 95.83 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.697 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 56.2 mp0 -109.2 26.98 10.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.309 0.381 . . . . 0.0 110.141 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.483 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 60.0 t-80 -139.59 0.71 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.562 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' HIS . 58.3 t-80 -108.46 70.69 0.76 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.706 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.8 t60 58.77 -76.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.655 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 86' ' ' HIS . 0.4 OUTLIER -147.63 164.67 32.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.636 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -151.36 163.7 38.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.499 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.553 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.0 mtp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.9 -63.07 0.09 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.411 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 87.2 mt-30 -64.34 -37.01 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.311 . . . . 0.0 110.644 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt -91.95 130.68 40.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.485 ' CD1' ' NH2' ' A' ' 13' ' ' ARG . 78.5 m-85 -70.32 134.49 47.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.391 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 p -80.64 158.15 25.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.461 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 8' ' ' GLN . 5.3 p -63.56 -45.53 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.647 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.49 ' N ' HG13 ' A' ' 7' ' ' VAL . 5.3 tm0? -58.05 -46.3 85.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.783 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.05 -35.74 78.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 29' ' ' LEU . 45.7 tp -63.97 -38.75 92.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.498 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -57.49 -35.91 70.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -58.43 -56.73 18.39 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.562 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 90.2 mtm180 -70.69 -38.29 73.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.639 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.46 -8.74 57.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.579 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' O ' ' A' ' 16' ' ' VAL . 65.8 tttm -55.15 -47.26 75.38 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.901 -178.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.877 HG22 ' H ' ' A' ' 17' ' ' PHE . 11.2 p 43.08 -177.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.048 0.452 . . . . 0.0 110.835 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.877 ' H ' HG22 ' A' ' 16' ' ' VAL . 91.1 m-85 -79.07 142.93 36.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.99 137.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -82.17 145.85 53.53 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.875 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.36 143.22 57.35 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 122.348 2.032 . . . . 0.0 111.912 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.755 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -90.88 144.31 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.356 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.19 143.86 4.62 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.48 7.75 6.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.729 0.299 . . . . 0.0 110.688 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.6 p -75.8 -14.83 60.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -69.06 -34.59 75.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -62.38 -17.12 58.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.777 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.04 -39.08 40.27 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.41 ' O ' HD23 ' A' ' 32' ' ' LEU . 96.7 mt -71.06 -24.29 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.654 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' CD2' HD23 ' A' ' 10' ' ' LEU . 45.3 mt -92.21 -29.22 16.56 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.585 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.1 -36.0 80.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.671 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.67 -32.27 73.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.014 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.0 mm? -62.32 -38.69 90.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.24 0.543 . . . . 0.0 109.826 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' OD1' ' OE1' ' A' ' 37' ' ' GLN . 63.8 t0 -63.02 -44.02 97.12 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.067 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' ALA . 11.0 mp -69.48 -49.32 55.88 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.852 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 p -59.49 -26.36 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.299 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -80.51 -45.53 17.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.986 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' OE1' ' OD1' ' A' ' 33' ' ' ASP . 87.4 mt-30 -85.71 -14.81 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.662 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -75.51 162.05 28.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.701 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -161.62 140.32 9.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.473 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.29 -124.57 11.21 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 35.6 ptt180 -60.26 -37.32 80.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 111.03 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 91.0 m-20 -64.47 -35.78 82.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.473 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.82 -39.88 87.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.642 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -42.78 96.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.498 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.8 64.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.79 97.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.093 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 m -62.46 -46.36 88.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.007 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -62.95 -47.24 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -67.45 -46.02 74.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.79 -40.93 89.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -55.25 -53.65 53.37 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.394 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -36.93 80.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 0.0 110.215 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.23 -45.66 92.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.301 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.7 mt -67.28 -44.68 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.396 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -62.2 -41.0 97.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.582 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.6 -41.25 98.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.563 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -59.31 -46.38 88.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.44 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.9 -42.9 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.251 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.8 -34.41 71.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.496 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.55 -39.41 70.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.825 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -134.85 67.65 70.58 Favored Pre-proline 0 N--CA 1.467 0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.14 -12.91 19.28 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.863 2.375 . . . . 0.0 112.051 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -90.83 -9.47 46.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.501 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.425 ' OG ' ' OD1' ' A' ' 67' ' ' ASN . 56.4 p -54.82 -104.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.486 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.95 -45.05 0.62 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.507 ' NH2' ' O ' ' A' ' 13' ' ' ARG . 7.9 tpt180 -67.95 -16.73 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.59 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.622 HD22 ' N ' ' A' ' 67' ' ' ASN . 1.2 m120 -61.93 -24.2 66.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.405 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -48.53 -22.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.15 -25.78 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.429 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' ASN . 90.7 mt -68.86 -41.13 78.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -62.24 -20.71 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.05 -38.71 92.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.668 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.15 -41.13 99.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.25 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -57.13 -49.52 75.66 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.22 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.49 -34.6 77.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.594 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.411 ' NE2' ' O ' ' A' ' 3' ' ' GLN . 67.1 tp60 -63.69 -55.04 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.69 -47.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.443 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 m -60.87 -45.38 94.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.738 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.8 t -64.45 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.525 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.7 -48.8 72.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.656 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.7 mt -66.32 -30.46 70.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.503 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.14 18.54 71.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.471 ' O ' ' O ' ' A' ' 84' ' ' GLU . 65.0 mt -65.08 -42.0 94.52 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.656 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 83' ' ' LEU . 82.5 tt0 58.53 126.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.272 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.457 ' O ' ' O ' ' A' ' 84' ' ' GLU . 45.1 t-80 57.41 123.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.028 0.442 . . . . 0.0 110.655 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -72.26 143.7 48.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -88.11 78.33 8.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.366 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.491 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 1.8 t60 -66.44 -42.13 88.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.61 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.491 ' NE2' ' CE1' ' A' ' 88' ' ' HIS . 97.7 m-70 -147.54 160.38 42.69 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 80.0 m80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.534 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.21 162.78 33.48 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 44.78 -102.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.599 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.7 mt -88.24 133.04 31.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -64.6 135.73 56.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.26 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 m -77.81 143.66 37.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.316 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 8' ' ' GLN . 7.7 p -64.21 -47.42 90.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.975 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.563 ' N ' HG13 ' A' ' 7' ' ' VAL . 41.4 mm-40 -55.94 -31.56 63.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.737 0.303 . . . . 0.0 110.753 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -68.46 -61.36 1.87 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.432 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.73 -37.84 79.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 7' ' ' VAL . 63.9 tttp -58.22 -48.82 79.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.802 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.51 -43.77 89.04 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.954 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -70.03 -40.72 75.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.585 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.46 81.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.22 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 17' ' ' PHE . 34.4 mmtm -63.3 -39.97 96.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.4 t 55.94 -77.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.452 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' N ' ' O ' ' A' ' 15' ' ' LYS . 80.0 t80 -71.77 170.54 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.56 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.524 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -49.03 140.52 9.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.415 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.496 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -67.02 121.01 76.2 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.955 -178.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.63 151.26 36.58 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.997 1.798 . . . . 0.0 112.214 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 21' ' ' ILE . 19.4 tt -91.68 127.68 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.265 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -166.26 -32.74 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . 76.46 -29.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.467 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 22' ' ' GLY . 70.5 p -73.52 -25.48 60.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.683 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.411 ' O ' HG22 ' A' ' 28' ' ' ILE . 98.2 m-85 -75.8 -22.07 56.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.638 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -65.2 -20.38 66.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.81 -22.09 11.26 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 25' ' ' TYR . 20.4 tt -68.22 -24.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -90.68 -28.47 18.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.575 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -59.16 -47.88 83.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.458 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.47 ' NE2' ' CD ' ' A' ' 49' ' ' GLU . 8.2 tp-100 -66.68 -46.56 75.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.8 -43.18 99.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.513 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 54.5 t0 -62.69 -36.79 84.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.346 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.6 tp -62.83 -37.65 87.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.553 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.26 -30.02 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.264 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -78.26 -41.83 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -84.05 -19.8 33.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.613 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -78.81 164.89 24.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -163.09 139.07 6.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.58 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.75 -122.28 13.67 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -61.76 -40.69 96.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.929 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 65.1 t0 -62.93 -37.08 85.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.552 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -66.14 -41.05 90.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 0.0 110.486 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.11 -42.71 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.627 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.62 -41.84 64.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.52 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.94 92.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.951 0.405 . . . . 0.0 110.273 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.0 t -62.16 -44.24 97.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.96 -46.56 87.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CD ' ' NE2' ' A' ' 31' ' ' GLN . 80.7 tt0 -67.42 -40.52 85.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.872 0.367 . . . . 0.0 110.503 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.88 -35.69 79.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.351 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.55 ' C ' HD22 ' A' ' 51' ' ' ASN . 0.3 OUTLIER -57.28 -45.95 83.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.654 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -66.01 -40.32 91.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.124 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.57 -51.01 71.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.999 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 98.0 mt -68.32 -44.56 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.96 0.409 . . . . 0.0 110.303 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -62.19 -44.52 96.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.16 -41.09 97.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.46 ' CD2' HD22 ' A' ' 70' ' ' LEU . 75.7 t80 -59.49 -41.98 91.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.343 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.53 -43.66 98.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.348 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 -27.42 67.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.492 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -72.04 -40.46 68.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -137.37 65.54 49.53 Favored Pre-proline 0 N--CA 1.468 0.449 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.604 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.86 -15.74 26.4 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.702 2.268 . . . . 0.0 111.842 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.4 t -80.94 -25.07 37.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.8 p -80.79 151.17 28.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.396 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.89 -12.36 52.95 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.5 tpt85 -61.88 -36.31 80.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.348 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.696 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -60.65 -34.78 74.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.555 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -44.54 -23.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.22 -47.25 44.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.6 mp -64.53 -38.69 91.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.236 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.3 m -52.43 -42.43 64.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.1 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' O ' ' OE2' ' A' ' 75' ' ' GLU . 94.2 mm-40 -62.68 -31.17 72.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.366 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.568 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -64.94 -39.38 93.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.059 0.456 . . . . 0.0 109.877 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.57 -56.23 23.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.497 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 72' ' ' GLN . 2.9 pp20? -66.51 -24.75 66.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.642 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -63.19 -51.11 67.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.93 -46.38 96.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.832 0.349 . . . . 0.0 110.505 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.7 p -62.03 -33.48 74.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.656 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.4 t -62.62 -43.92 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.505 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.59 85.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.48 -31.58 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 47.49 54.59 10.42 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.989 HD13 ' H ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -73.97 -5.99 44.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.514 179.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.523 ' N ' HD22 ' A' ' 83' ' ' LEU . 81.1 tt0 59.25 111.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.42 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -76.47 142.15 41.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.384 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -100.56 132.24 46.05 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.419 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -50.06 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.567 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 83.1 t60 41.66 89.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -145.99 138.85 25.73 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.582 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.56 -36.17 93.0 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 47.98 71.74 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.387 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.1 mt -91.56 131.25 39.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.499 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -69.2 132.18 46.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 7' ' ' VAL . 25.1 m -83.4 160.62 21.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.561 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.672 HG13 HD22 ' A' ' 29' ' ' LEU . 72.3 t -64.07 -43.33 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.621 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -54.95 -41.23 70.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.58 -33.35 73.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.918 0.39 . . . . 0.0 110.76 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.17 -18.11 64.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.871 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -54.97 -39.39 68.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.379 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -64.23 -42.07 96.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.374 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -70.18 -35.73 74.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.477 ' C ' ' H ' ' A' ' 16' ' ' VAL . . . -69.89 -10.56 58.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.551 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -51.12 -10.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.397 . . . . 0.0 110.325 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 14' ' ' ALA . 80.1 t -79.78 133.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.379 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -90.62 117.78 29.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.458 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 178.35 65.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.775 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' HZ2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -78.81 115.98 56.26 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.99 -179.627 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -75.26 163.95 33.8 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.326 2.017 . . . . 0.0 112.408 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 mm -60.37 144.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.05 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.38 -129.56 9.57 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.72 48.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.601 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.3 m -79.84 -15.71 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.629 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -70.55 -39.55 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.51 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -63.61 -36.66 84.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.53 ' O ' ' NE2' ' A' ' 31' ' ' GLN . . . -59.61 -28.64 65.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.8 mt -68.52 -24.01 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 110.483 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.672 HD22 HG13 ' A' ' 7' ' ' VAL . 88.1 mt -90.21 -40.57 12.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.561 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.35 -44.36 97.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -64.59 -34.92 79.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.742 -179.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.543 ' O ' HG12 ' A' ' 35' ' ' VAL . 19.8 mt -60.16 -32.9 71.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.087 0.47 . . . . 0.0 109.868 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -71.98 -48.65 43.42 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.805 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.9 mp -66.01 -42.24 89.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.761 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 32' ' ' LEU . 1.3 p -53.01 -25.69 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.929 0.395 . . . . 0.0 110.151 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -80.73 -43.93 19.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.38 -14.19 50.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -76.4 163.19 27.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -165.03 140.47 5.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.765 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.19 -125.49 7.2 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.14 -36.55 82.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.768 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.84 -39.78 95.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 2.7 mm-40 -66.51 -44.07 83.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.38 -43.55 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.464 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' OE1' ' A' ' 49' ' ' GLU . . . -58.75 -41.8 87.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.709 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.88 97.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.6 p -62.0 -31.28 71.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.686 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.79 -44.58 93.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.645 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 45' ' ' ALA . 5.6 mp0 -66.32 -53.09 40.44 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.705 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 50' ' ' LEU . 4.0 mm? -61.8 -42.38 98.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.858 0.361 . . . . 0.0 110.709 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.18 -45.8 93.14 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.424 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -67.37 -47.5 70.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.625 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.64 -47.41 83.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.637 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.74 -45.02 85.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.549 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.11 -45.88 89.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.995 0.426 . . . . 0.0 110.643 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -66.31 -38.22 87.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -58.15 -43.39 87.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.387 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.08 -44.62 99.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.447 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.9 92.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -71.11 -40.63 71.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -136.86 68.31 57.93 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.656 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.1 -14.89 20.79 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.642 2.228 . . . . 0.0 111.951 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.1 p -98.77 2.92 47.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.655 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.6 t -61.37 -43.9 98.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' A' ' 68' ' ' GLN . . . 88.62 -29.12 5.93 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -79.42 -18.15 52.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 68' ' ' GLN . 49.0 p30 -63.24 -16.86 61.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.701 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.51 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 8.7 mp0 -55.63 -23.03 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.054 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.05 -43.43 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.845 0.355 . . . . 0.0 110.42 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.6 mp -64.35 -42.8 96.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 68' ' ' GLN . 1.7 t -55.18 -28.61 54.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.328 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -64.03 -40.56 96.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.359 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.03 -42.14 97.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.646 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -57.15 -53.71 55.07 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.07 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -67.65 -34.24 76.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.668 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -52.44 64.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.779 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.27 -49.2 85.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.52 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.1 p -62.65 -43.13 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.734 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.1 p -64.91 -37.89 89.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.738 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.34 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt -68.17 -30.25 69.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.647 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.63 30.59 78.33 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 84' ' ' GLU . 2.1 pp -71.68 -20.5 61.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.61 0.243 . . . . 0.0 110.785 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 83' ' ' LEU . 81.7 tt0 58.92 122.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -46.68 152.47 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.298 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.499 ' CE1' ' O ' ' A' ' 88' ' ' HIS . 0.0 OUTLIER -151.22 155.79 39.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 -179.875 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -66.63 -39.47 88.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.499 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 97.7 m-70 -74.11 134.6 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.494 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -65.74 -42.95 90.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.661 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.609 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.8 9.87 86.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' A' ' 76' ' ' GLN . 87.7 mt-30 53.69 -169.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.293 . . . . 0.0 110.572 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.2 130.46 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -70.06 123.72 22.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.427 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 p -83.29 165.69 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.626 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.0 t -62.11 -47.08 94.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.694 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -56.91 -41.34 77.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -65.02 -49.13 71.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.617 HD23 HD11 ' A' ' 29' ' ' LEU . 4.5 tp -70.22 -20.3 63.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -58.34 -44.24 88.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.465 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.03 -46.34 84.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.644 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 16' ' ' VAL . 92.7 mtt-85 -70.31 -37.34 74.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.713 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.88 -11.94 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.635 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' VAL . 64.4 tttp -64.32 -45.31 88.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.68 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LYS . 35.0 m 34.1 -143.48 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.417 0.448 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -145.75 156.25 43.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.928 0.394 . . . . 0.0 110.674 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.19 58.6 5.3 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.352 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.67 112.68 65.36 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.432 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.98 142.21 65.49 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.439 2.093 . . . . 0.0 112.017 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.5 pt -84.64 145.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.619 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.47 -128.36 0.94 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.38 -19.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.594 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.8 p -79.75 -15.73 56.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -70.92 -44.61 65.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.638 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -66.66 -29.33 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.33 -33.7 85.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.409 ' O ' HD13 ' A' ' 32' ' ' LEU . 97.0 mt -70.13 -23.89 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.617 HD11 HD23 ' A' ' 10' ' ' LEU . 4.0 mm? -91.96 -38.51 12.22 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.546 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.19 -26.57 67.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -67.49 -35.09 78.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.631 ' O ' HG12 ' A' ' 35' ' ' VAL . 9.2 mp -61.28 -44.23 97.58 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.426 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.98 -38.63 91.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.985 0.421 . . . . 0.0 110.629 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.45 -18.98 62.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.776 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 32' ' ' LEU . 1.4 p -55.53 -27.54 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.522 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -85.48 -34.2 21.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.215 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -82.0 -25.29 34.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.63 140.03 49.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.47 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.518 ' HG2' ' H ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -77.66 -179.93 6.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.55 -25.21 34.3 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -83.96 -60.59 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.751 0.31 . . . . 0.0 110.851 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.518 ' H ' ' HG2' ' A' ' 39' ' ' LYS . 38.8 t0 -64.39 -33.25 75.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 58.1 tt0 -61.91 -44.31 97.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.81 -43.66 93.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.465 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.87 -29.12 68.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.67 98.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.343 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.4 t -64.65 -43.47 93.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -61.85 -39.0 90.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.415 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.83 -52.96 57.78 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.724 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.5 mp -68.98 -21.57 64.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.018 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -50.3 -57.23 8.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.263 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -66.41 -40.17 89.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.009 -179.449 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.35 -46.59 88.0 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.3 mt -67.03 -46.04 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -63.68 -40.95 98.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.998 0.428 . . . . 0.0 110.799 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.89 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.389 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -48.93 79.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 58' ' ' ILE . 3.5 mp -65.26 -43.86 95.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.492 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.88 99.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -73.91 -38.26 64.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -134.56 66.97 71.14 Favored Pre-proline 0 N--CA 1.463 0.209 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.719 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ILE . 54.0 Cg_endo -72.73 -22.97 19.87 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.671 2.248 . . . . 0.0 112.014 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.0 m -69.74 -24.14 63.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.452 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -77.83 107.14 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.604 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.45 -33.83 88.28 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -59.61 -35.11 73.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.351 . . . . 0.0 110.6 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 69' ' ' ALA . 1.5 t-20 -60.99 -38.75 87.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.451 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -45.64 -20.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.479 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' ASN . . . -69.73 -33.09 71.99 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.46 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.8 mm? -64.36 -35.62 81.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.574 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.8 m -61.26 -28.41 69.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.759 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -62.19 -31.43 71.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.599 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 mt -61.17 -41.49 96.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -59.17 -43.69 92.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.344 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.84 -42.58 85.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.586 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' A' ' 1' ' ' MET . 98.7 mm-40 -63.81 -54.8 29.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.608 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.48 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.433 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.5 m -61.19 -46.84 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.5 m -63.5 -37.85 88.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.63 84.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.82 -32.69 74.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.74 55.42 2.99 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.618 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 83' ' ' LEU . 4.2 mm? -63.99 -40.68 96.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.726 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -118.66 89.38 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.477 0.486 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -59.8 -43.89 94.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.524 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -91.14 171.63 9.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -147.1 157.71 43.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.496 ' O ' ' CD2' ' A' ' 88' ' ' HIS . 50.8 p-80 -103.45 116.21 31.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.361 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.436 ' CE1' ' OXT' ' A' ' 90' ' ' HIS . 58.2 t-80 -165.9 127.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.521 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.436 ' OXT' ' CE1' ' A' ' 89' ' ' HIS . 86.3 t60 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.42 -1.93 83.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 24.1 mp0 56.08 54.23 8.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.763 0.316 . . . . 0.0 110.623 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.5 mm -91.78 135.41 27.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.746 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -61.13 138.27 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.32 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 7' ' ' VAL . 24.1 m -79.62 158.38 27.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.616 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.459 ' N ' HG22 ' A' ' 6' ' ' THR . 79.8 t -64.05 -42.81 96.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.797 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -45.72 -35.82 4.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.703 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.43 -40.46 85.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.0 mm? -66.83 -36.99 83.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.744 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -59.16 -40.54 85.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.541 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.34 -44.87 93.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.418 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 16' ' ' VAL . 33.8 mmt180 -68.99 -35.96 77.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.68 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.2 -8.93 56.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.578 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -54.13 -31.01 51.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.472 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 13' ' ' ARG . 11.6 m -78.02 135.93 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -71.73 141.49 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.07 -73.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -88.98 157.87 47.9 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.764 -179.647 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -50.41 144.5 24.1 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.214 1.943 . . . . 0.0 112.123 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.3 mm -76.05 130.84 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.465 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 24' ' ' SER . . . 82.1 179.45 52.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 61.29 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.494 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 22' ' ' GLY . 37.5 m -75.65 -33.04 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -69.23 -44.97 70.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.016 0.436 . . . . 0.0 110.48 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -70.72 -37.09 73.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.03 -49.46 40.85 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 24' ' ' SER . 3.6 tp -69.49 -25.07 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.172 0.511 . . . . 0.0 110.671 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tt -89.65 -45.94 8.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.912 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 67.9 t0 -63.46 -37.77 88.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.756 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.433 HE21 ' CB ' ' A' ' 46' ' ' ALA . 69.7 tp60 -59.02 -35.56 73.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.632 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.43 -39.3 90.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.85 0.357 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.15 -40.37 93.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.899 0.38 . . . . 0.0 110.208 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 34' ' ' LEU . 4.2 mm? -64.65 -38.13 89.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.756 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.9 t -54.9 -22.6 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -81.46 -46.97 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.796 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -83.13 -21.25 33.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.702 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' LEU . . . -74.84 141.38 44.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -142.74 145.17 33.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.143 0.496 . . . . 0.0 110.663 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.37 -126.77 19.77 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -42.71 93.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.194 0.521 . . . . 0.0 110.618 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -56.36 -44.24 79.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.408 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -67.13 -39.56 86.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.374 . . . . 0.0 110.588 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.07 -42.95 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.503 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.47 -42.34 70.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' CB ' HE21 ' A' ' 31' ' ' GLN . . . -62.87 -39.02 93.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.183 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -63.22 -44.87 94.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.78 -44.23 97.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -65.92 -51.72 56.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.04 -35.1 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.537 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 29.5 t30 -51.87 -42.06 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -63.47 -45.12 92.24 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.791 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' CD ' ' N ' ' A' ' 53' ' ' LYS . 10.9 mptt -64.64 -44.68 89.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.564 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.47 -45.85 88.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.451 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.537 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 62.6 m-20 -63.43 -42.75 98.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.462 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 66.4 t0 -64.86 -38.38 90.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.582 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD2' HD12 ' A' ' 70' ' ' LEU . 41.7 t80 -56.99 -38.24 72.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.345 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.95 -43.82 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.331 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.38 75.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.87 -14.37 62.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.503 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.524 ' CD2' ' OG1' ' A' ' 63' ' ' THR . 8.5 t-160 -135.63 71.33 65.2 Favored Pre-proline 0 N--CA 1.464 0.226 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.324 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -53.61 -37.05 82.96 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.786 2.324 . . . . 0.0 112.184 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.524 ' OG1' ' CD2' ' A' ' 61' ' ' HIS . 34.0 p -69.68 -15.71 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.481 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m 68.48 -177.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 135.7 -80.79 0.3 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.9 mmt-85 -79.74 -10.76 59.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.799 0.333 . . . . 0.0 110.674 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' ALA . 4.5 m120 -62.56 -38.65 90.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -44.35 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.624 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ASN . . . -82.36 -61.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.646 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 57' ' ' TYR . 66.4 mt -65.26 -41.61 94.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 84.4 m -59.67 -44.82 93.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.13 -27.53 69.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.711 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.568 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.3 tt -61.97 -42.38 99.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.019 0.438 . . . . 0.0 110.142 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.41 -47.32 86.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.625 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.05 -34.46 74.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.442 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' A' ' 3' ' ' GLN . 51.6 tt0 -64.02 -55.64 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.53 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.35 -44.79 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.372 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.1 m -60.21 -42.99 96.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.644 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.5 t -62.03 -39.7 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.429 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.53 -40.59 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -66.31 -30.96 71.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.759 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.64 28.43 65.34 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.83 -41.25 95.9 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.697 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 56.13 -173.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.535 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -81.57 -111.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -154.75 150.54 27.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.303 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -96.27 128.64 43.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.454 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -153.73 151.36 29.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.464 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.5 m80 42.44 73.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 90' ' ' HIS . 52.7 t-80 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.502 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.588 ' HB2' HG13 ' A' ' 77' ' ' VAL . 66.2 mtt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.88 ' O ' HG11 ' A' ' 77' ' ' VAL . . . -102.96 -96.72 2.37 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' CA ' HG21 ' A' ' 77' ' ' VAL . 1.2 tp60 -141.4 23.35 2.16 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.705 0.288 . . . . 0.0 110.502 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.697 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.5 pp -137.42 161.46 34.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.19 0.519 . . . . 0.0 111.218 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CD2' ' N ' ' A' ' 6' ' ' THR . 59.7 t80 -108.14 171.33 7.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.693 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.568 ' N ' ' CD2' ' A' ' 5' ' ' PHE . 4.5 m -57.37 147.91 24.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 11' ' ' LYS . 7.8 m -61.77 -23.92 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.674 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -52.17 -43.88 64.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.685 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -69.58 -47.08 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 14' ' ' ALA . 4.8 tp -71.27 -21.29 62.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' VAL . 29.3 ttmt -57.72 -45.94 85.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.693 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -66.29 -45.44 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.815 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -76.21 -23.3 54.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -74.55 -10.39 59.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.738 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' VAL . 88.7 tttt -62.78 -45.64 91.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.681 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' LYS . 33.1 m 34.37 -148.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 123.353 0.408 . . . . 0.0 110.715 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.68 147.24 26.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.028 0.442 . . . . 0.0 110.614 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.13 -168.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.435 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -90.96 160.73 37.26 Favored Pre-proline 0 N--CA 1.452 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.617 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.61 144.73 91.92 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.497 2.131 . . . . 0.0 112.225 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.92 134.18 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.653 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.17 -132.63 12.98 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.82 13.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -80.04 -15.98 56.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -74.61 -28.57 60.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -64.71 -38.7 91.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.64 -41.04 97.19 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.5 mt -69.72 -23.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.698 0.285 . . . . 0.0 110.482 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -90.48 -22.44 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 110.49 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.76 -37.08 86.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -63.16 -32.88 74.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' O ' HG12 ' A' ' 35' ' ' VAL . 11.1 mp -60.59 -36.39 78.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.201 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -69.83 -48.02 60.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.069 0.461 . . . . 0.0 110.611 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' GLN . 4.0 mm? -64.86 -44.88 88.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.706 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -45.68 -24.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.582 -178.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.72 -35.02 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.946 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 58.2 tt0 -83.16 -19.06 37.32 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.202 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.68 140.75 53.62 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.833 0.349 . . . . 0.0 110.474 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -143.26 146.48 33.66 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.27 -127.5 14.59 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -67.74 -19.89 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.718 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -63.78 -38.96 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.523 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -66.48 -40.74 89.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.702 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.07 -42.38 95.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.121 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.31 59.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.327 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -22.76 66.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.265 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.425 ' HA ' ' C ' ' A' ' 2' ' ' GLY . 2.6 t -65.4 -55.23 19.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.08 -34.07 77.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.94 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -62.95 -63.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.345 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.8 mm? -63.54 -31.23 72.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -51.77 -61.09 2.47 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.232 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -67.0 -37.2 83.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.345 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.81 -48.02 80.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.775 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.27 -44.47 94.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.453 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -63.15 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.458 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.87 -41.68 99.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.534 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -61.09 -36.6 80.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.698 HD11 ' OG1' ' A' ' 71' ' ' THR . 96.4 mt -62.09 -43.28 97.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.103 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.8 81.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -74.0 -4.1 33.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.634 ' CG ' ' ND2' ' A' ' 67' ' ' ASN . 13.4 m80 -135.0 68.7 70.76 Favored Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -72.9 -12.43 26.17 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.679 2.252 . . . . 0.0 111.902 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.416 ' O ' ' CB ' ' A' ' 64' ' ' SER . 17.5 p -95.27 2.42 54.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.206 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 63' ' ' THR . 0.7 OUTLIER 77.02 151.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.522 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.53 -146.66 10.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -59.64 -32.03 70.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.781 0.324 . . . . 0.0 110.615 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.634 ' ND2' ' CG ' ' A' ' 61' ' ' HIS . 92.7 m-20 -61.98 -39.82 93.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.396 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -53.11 -38.85 62.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.414 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.21 66.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.334 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.97 -40.0 94.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.479 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.698 ' OG1' HD11 ' A' ' 58' ' ' ILE . 24.5 m -54.22 -23.06 13.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.433 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -65.5 -38.08 88.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.693 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.54 -23.16 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.712 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.81 -45.79 88.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.029 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.76 -21.92 61.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.265 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -57.84 -60.32 3.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.88 HG11 ' O ' ' A' ' 2' ' ' GLY . 61.1 t -57.85 -41.45 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.743 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.4 m -43.48 -45.68 6.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.336 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.4 t -72.88 -33.9 66.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.909 0.385 . . . . 0.0 110.401 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -59.58 -50.82 72.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.554 HD21 ' N ' ' A' ' 1' ' ' MET . 59.4 mt -67.47 -31.64 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.32 12.73 61.06 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.3 -41.72 93.82 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.753 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 55.61 20.74 4.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.702 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -90.75 123.6 34.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -160.4 40.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.529 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.83 -44.14 90.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.428 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.648 ' CG ' ' H ' ' A' ' 89' ' ' HIS . 75.6 t60 58.04 -179.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.648 ' H ' ' CG ' ' A' ' 88' ' ' HIS . 83.4 t60 54.59 -105.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.624 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.54 ' N ' ' CD2' ' A' ' 89' ' ' HIS . 85.6 t60 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.579 -179.952 . . . . . . . . 1 1 . 1 stop_ save_