data_1jw3_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 1jw3 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 CA-C-O 120.503 -0.054 . . . . 0.0 113.001 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.589 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.9 p90 -141.83 139.5 32.72 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.753 0.311 . . . . 0.0 110.934 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' TRP . 10.6 pt-20 -147.26 128.11 14.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.441 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 25.8 p90 -111.9 147.57 35.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.125 0.488 . . . . 0.0 112.176 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.01 154.21 22.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.755 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -89.95 102.89 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.632 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 1.4 t -106.44 151.06 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.969 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.632 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 67.9 m -94.95 110.84 22.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.632 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 106.77 -45.88 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.632 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.66 168.88 12.08 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.318 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' HA ' ' A' ' 137' ' ' ILE . . . -147.66 120.97 8.97 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.505 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.77 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -116.39 135.94 12.46 Favored Glycine 0 CA--C 1.502 -0.773 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.925 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.36 154.84 20.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.972 -0.614 . . . . 0.0 109.759 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.589 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -111.07 130.96 55.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.593 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.23 150.47 40.03 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-O 121.54 0.686 . . . . 0.0 110.376 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -112.7 159.45 18.9 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.284 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.488 ' HA2' ' HB3' ' A' ' 24' ' ' GLU . . . -112.08 -152.51 11.86 Favored Glycine 0 CA--C 1.492 -1.405 0 CA-C-O 122.551 1.084 . . . . 0.0 114.455 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.421 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -179.36 -28.94 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 112.479 -1.86 . . . . 0.0 109.222 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -154.95 29.9 0.41 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.339 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.2 OUTLIER 76.79 -56.71 0.55 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.013 -179.285 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 0.4 OUTLIER -57.81 -33.4 68.55 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.488 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 4.7 tp10 -54.75 -47.17 74.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.797 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.45 HG11 ' CA ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -63.75 -45.5 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 94.5 m-85 -56.32 -54.8 41.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.584 ' HB3' ' CG1' ' A' ' 85' ' ' VAL . 2.8 pp20? -66.2 -32.59 74.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.418 ' HA ' HD21 ' A' ' 31' ' ' LEU . 8.8 t-20 -65.44 -27.61 68.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.542 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.28 98.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 83' ' ' PHE . . . -59.33 -40.25 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.342 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -59.33 -35.93 74.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.282 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . . . -53.22 -47.99 68.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.46 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.419 ' HE2' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -71.8 -48.77 44.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -47.84 84.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.758 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.49 -30.55 41.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.762 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -104.07 -24.86 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' MET . 1.8 tpt -75.76 -24.62 56.06 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.846 0.355 . . . . 0.0 110.429 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.3 t -165.88 -167.28 1.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -125.37 88.09 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.18 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.52 ' HB ' ' HA ' ' A' ' 80' ' ' PHE . 2.6 p -68.27 -22.11 64.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.9 p -62.25 78.19 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.946 0.403 . . . . 0.0 110.975 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER 173.3 -35.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.052 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.569 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 52.9 t -96.19 134.76 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.832 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.8 -82.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 175.89 103.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.702 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -97.19 -23.24 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.098 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.558 ' HB2' ' HB3' ' A' ' 103' ' ' GLU . 4.9 mm-40 -136.65 170.67 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.239 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -141.78 142.95 33.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 100' ' ' ALA . 3.0 mtp180 -141.31 147.09 37.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.34 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -123.96 142.8 50.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.912 0.387 . . . . 0.0 111.158 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 97' ' ' THR . 38.9 t -125.09 147.4 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 140.01 53.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.317 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.575 ' CG1' ' HB3' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.75 151.42 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.259 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.8 m -121.9 113.86 20.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.699 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 94' ' ' LEU . 38.3 m -121.25 164.4 17.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.798 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -149.27 41.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' VAL . 1.5 t0 -166.3 5.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? 62.7 -70.52 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 111.216 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' ASP . 10.1 p -54.15 -35.67 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -70.73 -29.99 66.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.646 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.532 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -53.96 -39.47 65.98 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -65.75 -48.57 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.792 178.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' OH ' ' CE2' ' A' ' 120' ' ' PHE . 11.7 t80 -56.97 -34.97 68.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.866 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.76 -19.69 22.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.464 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.436 ' CD1' ' HB3' ' A' ' 26' ' ' PHE . 2.6 t-105 -72.72 -53.22 12.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.752 0.311 . . . . 0.0 111.254 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 ' CD1' ' CG2' ' A' ' 136' ' ' VAL . 0.7 OUTLIER -71.22 -41.47 70.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.885 -179.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.57 -33.77 60.8 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -36.25 83.79 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.412 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -65.56 -32.07 73.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.437 179.351 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -47.26 82.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.815 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.17 -52.31 24.46 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 69' ' ' LEU . 4.1 pt -58.59 -33.44 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.569 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -49.46 -51.49 35.51 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.991 -179.386 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.14 -29.57 62.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.734 0.302 . . . . 0.0 110.219 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.3 m -64.14 -18.69 64.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.32 68.11 0.09 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.053 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.614 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -62.89 95.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.149 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.541 ' CG2' ' HA ' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -112.33 152.77 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.955 -178.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.431 HD22 ' CD2' ' A' ' 109' ' ' HIS . 0.2 OUTLIER -65.95 -45.53 81.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.573 -178.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.569 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 2.2 t80 -119.5 147.59 44.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.511 . . . . 0.0 111.819 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.5 t -154.31 130.5 10.37 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.262 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -91.48 146.75 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.418 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 14.6 m-85 -117.07 121.48 41.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.893 0.854 . . . . 0.0 112.727 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.619 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.2 OUTLIER -133.38 135.87 44.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.242 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.584 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -131.63 149.45 32.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.84 0.829 . . . . 0.0 112.579 -178.11 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.679 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.8 ttpt -129.63 118.96 22.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.368 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.532 HD12 ' CD2' ' A' ' 26' ' ' PHE . 9.5 mt -116.02 124.51 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.152 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -131.68 122.81 26.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.181 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -77.13 114.17 15.65 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.578 ' C ' ' H ' ' A' ' 92' ' ' ASP . 5.7 mmtm -75.02 -169.59 0.95 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.443 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.95 4.44 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 90' ' ' LYS . 10.9 p-10 171.29 -32.52 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.936 0.398 . . . . 0.0 110.309 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.84 -157.66 33.89 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.183 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -135.91 145.31 46.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.511 -0.345 . . . . 0.0 111.042 -178.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.451 ' O ' ' HA ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -127.37 143.72 51.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.833 179.464 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.575 ' HB3' ' CG1' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -127.92 125.56 39.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.642 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.679 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -125.33 119.22 27.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.051 0.453 . . . . 0.0 109.845 178.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.619 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.76 148.71 17.06 Favored Glycine 0 C--N 1.317 -0.525 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.744 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.409 ' CB ' ' HG2' ' A' ' 84' ' ' LYS . 9.5 m -118.97 142.86 47.41 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.928 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ARG . . . -134.69 132.75 39.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.666 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.536 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 8.2 ptp -130.47 155.69 46.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.565 0.222 . . . . 0.0 111.33 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.451 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 97.6 64.11 0.89 Allowed Glycine 0 C--N 1.334 0.436 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.961 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 29.7 tt0 -109.02 116.96 32.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.031 0.443 . . . . 0.0 111.556 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.54 86.67 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.677 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.614 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 5.3 tt -79.43 137.91 20.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.373 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -103.77 167.48 9.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.75 -44.49 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.792 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -104.61 64.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.305 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.463 ' CE1' HG13 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -61.32 144.7 53.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.7 108.37 16.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -108.78 137.54 46.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -114.6 -76.83 0.57 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -91.78 158.69 16.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.738 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -121.09 113.5 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 111.493 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 138' ' ' LEU . 3.1 p -111.39 129.12 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.411 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.416 ' HB2' ' OXT' ' A' ' 140' ' ' LEU . 4.0 mmtt -88.5 -19.97 25.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.995 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.29 173.73 0.08 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.24 108.26 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.388 178.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 120' ' ' PHE . 1.1 m -115.93 104.25 11.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.895 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.538 ' C ' ' O ' ' A' ' 119' ' ' THR . 2.2 m-85 17.83 53.17 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.673 0.749 . . . . 0.0 110.703 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.679 ' HB3' ' O ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -55.07 -44.91 75.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.619 -177.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.481 ' HB3' ' CD ' ' A' ' 135' ' ' ARG . 5.4 mmt -169.26 -63.66 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.478 ' HG3' ' C ' ' A' ' 122' ' ' MET . 0.0 OUTLIER 46.1 40.33 7.06 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.279 177.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 2.5 tt0 -114.95 134.17 55.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.302 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.411 ' CD1' HD22 ' A' ' 62' ' ' LEU . 14.2 mm -106.06 113.15 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.973 0.416 . . . . 0.0 111.38 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.64 136.56 43.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.309 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -109.87 122.66 48.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.997 0.427 . . . . 0.0 111.637 -179.443 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -124.46 128.27 48.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.7 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.54 20.35 8.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.86 0.362 . . . . 0.0 111.259 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.17 0.66 73.62 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.197 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 14.6 mt -98.2 145.4 26.65 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.467 HG12 ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.76 141.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.328 0.585 . . . . 0.0 111.861 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -134.16 137.66 44.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.598 178.217 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -116.54 148.64 40.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.629 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -124.01 119.8 30.58 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.77 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 21.6 t -130.95 114.92 28.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.767 HG12 ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -103.39 140.92 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.025 0.93 . . . . 0.0 109.884 176.703 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.596 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -113.99 151.58 32.17 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.127 -176.583 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -81.7 141.36 33.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.521 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 11' ' ' ALA . 6.8 tp . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.726 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.757 -0.137 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.679 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.2 p90 -141.61 139.82 33.18 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.491 0.186 . . . . 0.0 110.767 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 16' ' ' TRP . 3.6 pt-20 -147.3 133.05 18.93 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 111.563 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -97.04 148.25 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.973 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -108.41 140.07 42.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.966 0.412 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -59.08 101.97 0.11 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.072 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.702 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 2.0 p -107.17 153.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.852 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.588 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 46.4 m -106.01 56.93 0.66 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.097 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.588 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 148.95 -60.9 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.724 0.297 . . . . 0.0 110.487 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.702 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.01 123.35 40.18 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.152 0.501 . . . . 0.0 111.722 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.631 ' CA ' HG11 ' A' ' 9' ' ' VAL . . . -99.22 128.17 45.31 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.966 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -109.89 146.52 17.1 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.096 -1.201 . . . . 0.0 110.096 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.678 ' O ' ' HA ' ' A' ' 135' ' ' ARG . 2.4 m-85 -105.71 153.44 21.84 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.003 0.43 . . . . 0.0 110.844 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.679 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -110.97 126.06 54.37 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.616 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.4 161.35 20.65 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.495 0.664 . . . . 0.0 110.682 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -119.65 159.6 24.11 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.35 -1.296 . . . . 0.0 111.49 -177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.534 ' HA3' ' CG1' ' A' ' 132' ' ' ILE . . . -116.11 177.37 16.95 Favored Glycine 0 CA--C 1.49 -1.479 0 CA-C-O 122.361 0.978 . . . . 0.0 114.213 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.452 ' HB3' ' CG ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -147.02 4.28 0.83 Allowed 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 112.989 -1.606 . . . . 0.0 110.206 -179.293 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 0.6 OUTLIER 158.13 35.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.297 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER 72.57 -49.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 -179.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.549 ' O ' HG13 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -59.19 -42.77 91.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 20' ' ' HIS . 1.2 tp10 -53.49 -47.36 69.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.26 -31.85 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.668 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 31.6 m-85 -60.16 -54.33 47.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.691 0.281 . . . . 0.0 111.59 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.544 ' HG3' ' N ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -67.58 -34.85 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.262 179.64 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.55 -27.26 68.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.258 0.552 . . . . 0.0 109.677 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.682 ' HB3' ' CZ2' ' A' ' 65' ' ' TRP . . . -70.08 -14.3 62.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.72 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.74 -13.59 20.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.667 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 4.9 tt -89.17 -33.27 17.1 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.541 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -48.51 -45.77 37.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 111.114 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.4 tpt -71.99 -36.68 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 2.5 m-85 -70.99 -48.21 54.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.237 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -53.46 -30.32 40.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.016 0.436 . . . . 0.0 110.546 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.422 HG23 ' CE2' ' A' ' 15' ' ' PHE . 21.8 t -89.59 -48.13 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.358 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 17.6 ptm -47.92 -48.48 31.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.165 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.431 ' CG2' ' HG3' ' A' ' 37' ' ' MET . 0.7 OUTLIER 165.33 170.16 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.17 159.15 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.035 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -58.65 -27.2 64.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' THR . 54.6 m 69.72 -62.17 0.43 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.387 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.05 32.36 0.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.69 102.98 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 110.718 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -106.1 92.0 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.143 0.497 . . . . 0.0 111.261 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 41.49 60.47 2.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.865 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -74.67 -22.88 58.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.915 0.388 . . . . 0.0 110.62 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.672 ' O ' ' HA ' ' A' ' 101' ' ' MET . 0.4 OUTLIER -148.98 170.75 17.64 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.289 -179.669 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.32 122.23 13.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.186 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' HA ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -121.15 141.98 50.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.698 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 142.99 45.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.968 0.413 . . . . 0.0 111.483 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 t -130.56 144.7 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.609 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -125.77 138.84 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.253 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.498 HD13 HG21 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -140.0 143.71 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.419 ' OG1' ' CE1' ' A' ' 95' ' ' HIS . 1.2 m -122.34 112.86 18.62 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.005 0.431 . . . . 0.0 111.234 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.9 m -122.64 163.98 19.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.418 178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -140.02 35.13 1.94 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' VAL . 3.2 t0 -166.17 13.9 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.203 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 65.48 -66.09 0.15 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 111.255 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' ASP . 29.0 m -54.13 -39.12 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.55 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 m -63.01 -37.53 87.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.47 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 55' ' ' SER . 0.2 OUTLIER -54.02 -35.93 62.45 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.655 HD12 ' CE3' ' A' ' 65' ' ' TRP . 1.0 OUTLIER -62.4 -47.34 84.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.352 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -53.19 -33.56 53.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.853 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.61 -14.31 26.63 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.548 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.682 ' CZ2' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -72.35 -55.76 6.57 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.702 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.645 ' N ' ' CG ' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -75.06 -43.54 52.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.682 -178.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -50.24 -35.0 24.97 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -44.77 78.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.829 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -31.86 72.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.899 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -52.37 59.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.36 -43.86 66.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.906 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.3 mt -61.92 -34.24 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.369 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.511 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -50.0 -53.04 29.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.25 -179.338 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -32.28 63.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.749 0.309 . . . . 0.0 110.421 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.2 m -64.06 -18.86 64.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -165.66 71.99 0.16 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.706 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.665 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 1.5 t80 -57.88 92.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.287 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.42 ' CG2' ' CG ' ' A' ' 103' ' ' GLU . 30.0 pt -112.33 137.18 46.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.267 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -65.03 -74.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.299 -179.304 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -121.12 145.08 48.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.008 0.433 . . . . 0.0 110.714 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 73.9 p -154.11 163.11 40.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.072 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.79 144.69 31.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.152 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.522 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 55.6 m-85 -119.98 122.96 42.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.427 0.632 . . . . 0.0 112.38 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.544 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -131.79 131.82 43.25 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.023 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -131.01 149.29 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.711 0.767 . . . . 0.0 112.361 -178.11 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.678 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -130.34 118.97 22.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.444 -178.351 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 23' ' ' GLU . 15.4 mt -110.82 125.26 68.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.674 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -132.87 122.21 24.04 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.876 0.37 . . . . 0.0 111.438 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.95 114.66 18.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.547 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.3 mmtp -74.81 -169.78 0.95 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.944 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -58.25 7.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 90' ' ' LYS . 6.7 p-10 173.62 -36.79 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 109.955 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.09 -162.23 35.48 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.966 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.2 OUTLIER -135.98 143.15 44.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.601 0.239 . . . . 0.0 110.757 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 6.8 t60 -127.35 143.78 51.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 111.641 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.576 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 10.3 tt -122.5 135.64 54.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.678 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.07 119.55 28.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.186 0.517 . . . . 0.0 109.651 178.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -122.24 148.55 17.06 Favored Glycine 0 C--N 1.313 -0.702 0 CA-C-N 115.784 -0.644 . . . . 0.0 113.821 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 3.4 m -127.85 142.27 51.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.479 0.18 . . . . 0.0 111.229 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.56 131.32 37.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.048 0.451 . . . . 0.0 111.143 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.672 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -132.0 155.24 48.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.323 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.434 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 95.14 37.92 4.99 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.061 -1.066 . . . . 0.0 111.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.597 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -97.56 119.29 35.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.172 -0.514 . . . . 0.0 111.034 -178.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 172.33 84.06 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.665 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 9.5 tt -72.6 122.36 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -106.77 143.2 35.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.99 123.79 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.646 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.26 31.93 8.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.131 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -59.02 157.19 10.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.95 140.16 1.48 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.396 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -90.51 135.86 33.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.296 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.57 179.12 6.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.172 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -89.54 126.87 35.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.577 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.21 144.2 49.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.506 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.4 m -69.71 109.51 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.58 -19.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.038 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -150.07 107.21 3.59 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.643 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.426 ' CG2' ' CD1' ' A' ' 138' ' ' LEU . 3.0 p -81.21 107.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.982 0.42 . . . . 0.0 110.118 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 121' ' ' HIS . 59.2 m -116.38 122.16 44.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.465 ' HB2' ' HG2' ' A' ' 123' ' ' MET . 0.1 OUTLIER -66.23 69.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.476 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 0.8 OUTLIER -76.92 -43.56 35.03 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.045 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.456 ' O ' ' HG3' ' A' ' 123' ' ' MET . 10.2 mmt -99.25 -67.49 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 32.31 71.95 0.08 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.296 179.265 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 3.5 mt-10 -163.64 134.51 4.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.065 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.474 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 59.3 mt -103.82 116.59 47.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 111.124 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -103.8 136.71 42.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.292 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.8 OUTLIER -94.3 122.77 37.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.932 0.396 . . . . 0.0 111.389 -179.211 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -124.17 125.4 44.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.667 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 58.6 21.02 8.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.994 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 90.98 0.7 74.11 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.853 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 11.9 mt -100.85 145.15 28.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.693 0.282 . . . . 0.0 110.268 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.534 ' CG1' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -102.45 136.11 36.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.874 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.616 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 10.1 mtmt -134.65 137.34 43.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.892 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -108.83 148.01 31.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.55 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.678 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -139.26 124.91 19.47 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -178.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.966 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 16.4 t -129.84 113.6 27.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.414 176.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.688 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 1.1 mt -95.58 113.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.401 0.619 . . . . 0.0 110.189 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 13' ' ' ALA . 5.6 mt -109.9 152.98 25.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.836 -178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.475 ' HA ' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -81.27 142.12 33.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.242 0.544 . . . . 0.0 111.438 -177.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 11' ' ' ALA . 7.0 tp . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.2 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 120.347 -0.141 . . . . 0.0 112.951 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.43 140.08 34.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 111.004 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -144.51 136.14 25.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.453 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 34.7 p90 -114.49 147.5 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.432 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.5 ' CZ ' ' O ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -108.86 140.19 42.65 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 179.312 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.29 103.52 0.15 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.018 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.687 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 1.9 p -107.14 153.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.731 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.59 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 28.1 m -106.99 58.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.241 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 147.82 -59.13 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.687 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.01 124.64 43.01 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.746 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.59 ' CA ' HG12 ' A' ' 9' ' ' VAL . . . -105.82 121.79 44.78 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.615 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -112.37 129.58 9.1 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -105.69 150.19 25.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.091 0.472 . . . . 0.0 111.154 -177.757 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.474 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -110.81 125.04 53.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.393 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -121.13 144.97 48.28 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.473 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.756 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -113.29 144.25 43.04 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.794 -177.334 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' C ' ' CD2' ' A' ' 20' ' ' HIS . . . -91.25 -167.31 40.98 Favored Glycine 0 CA--C 1.474 -2.531 0 CA-C-O 122.947 1.304 . . . . 0.0 113.297 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -143.96 4.02 1.26 Allowed 'General case' 0 N--CA 1.41 -2.468 0 CA-C-N 111.71 -2.245 . . . . 0.0 109.745 -179.183 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -179.35 29.72 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HA ' HG21 ' A' ' 132' ' ' ILE . 0.3 OUTLIER 73.23 -57.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.179 -179.571 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.671 ' HB3' HG13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -58.7 -52.51 65.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.186 0.517 . . . . 0.0 109.714 178.843 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 53.3 mm-40 -53.3 -24.23 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.778 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.447 ' HB ' HG13 ' A' ' 132' ' ' ILE . 2.5 p -73.96 -32.32 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.697 ' CE1' ' HB ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -71.86 -40.95 68.64 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.801 0.334 . . . . 0.0 110.865 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.558 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 2.5 pp20? -62.79 -32.17 73.29 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 109.904 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -27.17 68.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.053 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.33 -43.4 64.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.97 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.448 ' HB1' ' CZ ' ' A' ' 83' ' ' PHE . . . -72.6 -32.98 66.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.977 0.418 . . . . 0.0 110.061 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' HG ' ' CE1' ' A' ' 80' ' ' PHE . 5.5 tt -59.25 -23.83 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.765 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.19 60.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.441 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -28.53 15.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.164 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CD2' ' CD2' ' A' ' 80' ' ' PHE . 3.0 t80 -51.71 -38.43 55.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.501 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -53.29 -30.37 38.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.762 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.9 t -93.87 -53.96 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.394 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.441 ' HB3' ' HB3' ' A' ' 79' ' ' LEU . 22.0 mmt -50.08 -55.98 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.826 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.421 ' CG2' ' HG2' ' A' ' 112' ' ' ARG . 0.7 OUTLIER 49.87 177.06 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.974 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 t70 64.82 8.72 4.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.615 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.642 HG22 ' N ' ' A' ' 80' ' ' PHE . 1.1 p -72.9 -21.5 60.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.507 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -47.06 -22.19 0.32 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.666 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -29.76 48.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -97.34 122.96 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.87 -73.27 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.88 84.8 1.67 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.01 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.441 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -98.12 -38.55 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.651 ' O ' ' HA ' ' A' ' 101' ' ' MET . 9.5 mm-40 -136.9 170.13 16.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.738 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -142.09 125.93 17.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.447 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.65 132.95 48.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 111.034 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 142.87 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.57 147.22 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 111.48 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -125.84 144.05 50.81 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.454 ' CD1' HD23 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -139.55 150.95 22.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.647 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 t -121.75 114.48 21.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.674 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -120.65 164.57 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.601 179.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -143.43 31.48 1.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.734 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' VAL . 23.3 t70 -176.02 18.41 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 66.36 -60.2 0.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.374 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' ASP . 5.8 p -53.7 -44.84 59.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.833 0.349 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.4 m -61.73 -30.98 71.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.363 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' CD1' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -53.96 -40.47 66.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.09 -47.39 51.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.555 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.14 -39.5 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.14 -15.81 54.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.291 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.613 ' CD2' ' CE2' ' A' ' 26' ' ' PHE . 1.7 t-105 -72.77 -53.59 11.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 111.08 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' CD1' ' CG1' ' A' ' 136' ' ' VAL . 1.4 mt -71.68 -34.62 69.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -34.07 69.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -52.43 29.54 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.643 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -31.09 67.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.632 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.82 -52.25 57.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -70.48 -44.85 66.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.045 0.45 . . . . 0.0 110.632 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.1 mt -61.01 -33.67 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.118 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -49.54 -49.72 45.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.549 -179.11 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 77' ' ' PHE . 10.4 t0 -73.04 -35.12 66.67 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 m -64.17 -18.29 64.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HB2' ' HG3' ' A' ' 103' ' ' GLU . 4.6 pt-20 -164.9 77.13 0.3 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.484 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.751 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 55.6 m-85 -55.89 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.911 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.7 pt -111.83 147.91 15.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.105 0.478 . . . . 0.0 111.182 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 37' ' ' MET . 7.6 mt -79.4 -81.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.566 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.642 ' N ' HG22 ' A' ' 40' ' ' THR . 16.1 t80 -136.78 142.9 42.97 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.107 0.48 . . . . 0.0 110.471 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.493 ' HB2' ' O ' ' A' ' 101' ' ' MET . 30.1 p -154.23 163.33 40.3 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.104 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -79.65 122.24 26.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.52 ' CB ' ' HB2' ' A' ' 27' ' ' GLU . 88.7 m-85 -104.58 121.67 44.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.586 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.57 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.3 OUTLIER -102.16 136.14 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.532 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.697 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -132.96 149.73 32.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.659 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -129.98 139.11 51.11 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 113.459 -1.7 . . . . 0.0 110.077 -179.256 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.671 HG13 ' HB3' ' A' ' 23' ' ' GLU . 56.3 mt -128.34 124.53 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.328 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -132.95 127.24 33.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.33 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -77.08 115.25 16.71 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.578 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.2 mmtt -74.75 -169.19 0.83 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.431 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.42 2.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 169.4 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.339 0.12 0 CA-C-O 120.804 0.335 . . . . 0.0 110.808 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.98 -145.87 18.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.349 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -135.92 136.58 40.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.463 -0.368 . . . . 0.0 111.099 -178.564 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -127.86 140.5 51.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.527 179.025 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.568 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 8.6 tt -127.94 141.65 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.728 0.299 . . . . 0.0 111.447 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.659 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.79 119.21 27.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.09 0.472 . . . . 0.0 109.893 178.597 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.57 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.96 148.36 17.0 Favored Glycine 0 C--N 1.315 -0.602 0 C-N-CA 120.817 -0.706 . . . . 0.0 114.058 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.6 m -126.08 141.27 52.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.577 0.227 . . . . 0.0 110.497 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -133.82 132.71 40.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.79 0.328 . . . . 0.0 111.335 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.651 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.62 148.05 52.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.441 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 107.99 48.43 0.89 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.58 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.496 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.1 tt0 -104.69 115.98 31.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.812 0.339 . . . . 0.0 111.408 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 176.33 34.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.097 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.751 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 21.5 mm -95.74 138.32 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.938 0.399 . . . . 0.0 111.751 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 169.75 12.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.376 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -62.86 131.4 48.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.146 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.51 47.74 43.9 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.784 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -83.5 104.48 13.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 111.323 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.95 98.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.579 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -108.88 124.07 50.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.732 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -112.53 -32.66 6.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.169 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.483 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 3.9 m-20 -119.21 159.21 24.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.659 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -116.72 104.98 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.404 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 139' ' ' ASP . 12.1 p -111.33 109.71 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.251 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -59.05 -26.49 64.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.502 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 171.86 -176.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.004 0.431 . . . . 0.0 111.541 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' A' ' 138' ' ' LEU . 19.7 t -113.48 108.96 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.873 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 19.2 m -112.38 104.58 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 21.9 p90 -37.29 101.9 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.888 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.664 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 0.8 OUTLIER -55.51 -34.33 64.55 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 122.498 1.142 . . . . 0.0 108.197 178.447 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.417 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 176.92 -32.04 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 112.805 -1.998 . . . . 0.0 107.941 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.427 ' HG3' ' CB ' ' A' ' 120' ' ' PHE . 1.1 mmm 52.13 59.1 4.77 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.753 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.93 134.79 43.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.214 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.643 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 4.3 mt -96.25 112.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.082 0.467 . . . . 0.0 110.703 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.9 pp -103.51 136.53 43.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.137 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.586 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 10.8 p-10 -100.89 121.99 42.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.112 0.482 . . . . 0.0 111.774 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -124.97 128.65 48.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.331 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 t0 59.21 20.44 8.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 89.36 0.67 79.53 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.6 OUTLIER -96.92 146.18 25.19 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.555 0.342 . . . . 0.0 110.1 179.53 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.756 ' O ' ' HA ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -100.3 136.36 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.289 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.643 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 3.2 mtpp -134.49 136.76 43.38 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.783 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -126.34 142.88 51.36 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.566 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.457 ' HD3' ' CD2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -126.15 124.58 40.84 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -178.577 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.615 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 45.8 t -129.79 117.03 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.407 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.664 ' N ' ' HB2' ' A' ' 121' ' ' HIS . 1.0 OUTLIER -86.33 141.43 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.025 0.93 . . . . 0.0 111.851 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -126.9 151.63 48.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.52 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 115' ' ' VAL . 20.5 t0 -82.09 138.62 34.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.335 0.588 . . . . 0.0 112.121 -177.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.522 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 120.329 -0.15 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.02 139.88 34.0 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.832 0.316 . . . . 0.0 110.921 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.18 153.72 40.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.118 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.442 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 34.3 p90 -114.64 147.32 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.349 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -109.05 169.25 8.8 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.453 179.31 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -66.06 92.73 0.18 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.136 0.493 . . . . 0.0 112.271 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.925 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 3.5 p -107.22 152.3 8.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.322 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.62 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 76.7 m -137.45 98.89 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.544 178.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.653 ' O ' ' N ' ' A' ' 140' ' ' LEU . . . 115.29 -42.15 0.01 OUTLIER 'General case' 0 C--N 1.347 0.499 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.925 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.68 171.51 10.02 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.744 ' HA ' HG13 ' A' ' 9' ' ' VAL . . . -146.62 120.84 9.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.104 0.478 . . . . 0.0 111.232 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.854 ' HA3' HG12 ' A' ' 137' ' ' ILE . . . -122.7 129.86 7.66 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 36' ' ' VAL . 1.5 m-85 -107.93 152.22 24.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.033 0.444 . . . . 0.0 110.834 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.539 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -111.36 124.89 53.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.399 179.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.619 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -127.52 157.4 40.23 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.584 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.7 OUTLIER -113.36 159.43 19.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.179 -178.192 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.518 ' HA2' ' HB3' ' A' ' 24' ' ' GLU . . . -109.07 -171.82 20.9 Favored Glycine 0 CA--C 1.489 -1.578 0 CA-C-O 122.426 1.014 . . . . 0.0 113.853 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -139.73 1.58 1.91 Allowed 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 112.671 -1.764 . . . . 0.0 109.736 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 0.9 OUTLIER 155.68 44.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.104 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 2.2 mm? 70.9 -57.81 0.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.461 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 13.0 tt0 -52.0 -31.71 30.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.436 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.518 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 1.6 tp10 -73.56 -47.6 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -59.42 -50.71 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.752 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 22.3 m-85 -49.8 -38.38 34.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.223 0.535 . . . . 0.0 110.12 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.515 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -65.81 -41.68 91.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.867 179.173 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -27.6 64.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.854 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.06 -49.39 66.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.27 64.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -44.01 90.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.86 95.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.417 ' HE1' ' CE1' ' A' ' 73' ' ' HIS . 1.6 tmt? -71.71 -48.64 45.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.64 -33.43 75.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.92 -30.58 64.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.936 0.398 . . . . 0.0 110.606 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.459 ' CG2' ' CZ ' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -85.09 -33.62 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.767 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mmm -79.94 -29.35 39.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.424 ' CG2' ' CD1' ' A' ' 79' ' ' LEU . 12.0 t -177.81 -164.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -122.6 104.0 9.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.896 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 80' ' ' PHE . 36.9 p -71.8 -21.35 61.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.391 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.9 t -40.45 -29.05 0.08 Allowed 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -113.43 61.18 0.65 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.964 0.411 . . . . 0.0 111.151 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.3 p -91.17 134.67 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -21.19 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.512 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.04 113.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.825 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -123.46 -47.94 1.96 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.257 0.551 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.733 ' O ' ' HA ' ' A' ' 101' ' ' MET . 1.0 OUTLIER -121.59 170.92 9.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.441 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -142.38 122.47 13.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -121.16 154.59 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.232 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -123.76 142.94 50.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 111.737 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.9 t -128.37 149.0 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.173 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.78 141.79 51.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.471 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.81 147.74 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.778 -179.28 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 82.8 p -121.84 114.4 20.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.243 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.403 ' CB ' HD12 ' A' ' 61' ' ' LEU . 3.1 t -121.01 163.33 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.871 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -156.25 25.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.638 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -158.6 19.51 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.512 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 65.87 -66.89 0.15 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.499 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.1 m -54.17 -35.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.495 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 t -59.4 -41.6 89.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.123 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -54.11 -47.57 71.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.783 0.325 . . . . 0.0 110.22 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -47.58 61.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.307 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -56.85 -35.03 68.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.88 -17.2 23.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.561 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 26' ' ' PHE . 5.8 t-105 -72.83 -52.93 12.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.637 0.256 . . . . 0.0 111.191 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -43.47 74.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.745 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.21 -33.52 41.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.216 0.532 . . . . 0.0 109.596 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.57 -35.58 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.483 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -71.02 -31.83 68.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.494 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -48.54 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.505 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -52.19 23.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.449 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.455 ' CG1' ' HA ' ' A' ' 69' ' ' LEU . 2.4 pp -55.31 -33.94 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.572 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.417 ' CE1' ' HE1' ' A' ' 33' ' ' MET . 0.1 OUTLIER -49.74 -52.66 29.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.353 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -73.37 -36.6 66.12 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.53 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -64.2 -18.22 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' O ' HG21 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -161.66 76.79 0.52 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.874 178.467 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.432 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -58.8 96.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.139 179.339 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.445 HG22 ' CA ' ' A' ' 103' ' ' GLU . 1.1 pt -112.77 144.37 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.335 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.424 ' CD1' ' CG2' ' A' ' 38' ' ' THR . 0.2 OUTLIER -77.61 -71.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.539 -179.238 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.4 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 18.1 p90 -123.86 142.04 51.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -153.8 159.4 41.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.33 150.08 27.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.331 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -118.35 122.4 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.523 0.678 . . . . 0.0 111.994 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.19 115.51 15.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.384 178.289 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.515 ' CG1' ' HB2' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -110.6 149.63 13.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.535 0.683 . . . . 0.0 112.108 -178.4 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.74 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 1.7 tttm -130.65 118.91 21.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.249 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -123.52 140.73 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 121.821 -0.55 . . . . 0.0 110.37 179.213 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -133.06 122.5 24.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.609 -178.657 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -83.0 113.77 20.8 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.542 ' C ' ' H ' ' A' ' 92' ' ' ASP . 3.8 mmtp -92.73 -169.34 2.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.878 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.84 6.36 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.629 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER 172.15 -37.6 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.1 0.476 . . . . 0.0 110.175 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 90' ' ' LYS . . . -108.71 168.44 13.52 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.476 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 88' ' ' ASP . 0.4 OUTLIER -136.28 136.4 39.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.44 0.62 . . . . 0.0 111.995 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.447 ' CE1' ' CB ' ' A' ' 88' ' ' ASP . 19.8 p-80 -105.49 143.5 33.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.625 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.74 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 8.2 tt -114.89 141.0 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 111.6 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.588 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.05 119.18 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.688 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -117.12 148.3 18.84 Favored Glycine 0 C--N 1.315 -0.599 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.494 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 4.7 m -127.25 142.29 51.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.54 132.38 42.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.944 0.402 . . . . 0.0 111.271 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.733 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 5.3 mtt -131.08 155.63 46.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.597 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.79 51.05 4.17 Favored Glycine 0 CA--C 1.507 -0.408 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.532 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -92.67 116.09 28.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.121 -0.539 . . . . 0.0 111.627 -178.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.79 113.88 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.651 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.432 ' CG1' ' O ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -88.27 138.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.916 0.389 . . . . 0.0 111.035 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 109' ' ' HIS . 0.0 OUTLIER -121.65 -172.75 2.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.646 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -93.6 113.45 25.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.444 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 47.86 42.1 21.54 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.236 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 106' ' ' LYS . 1.2 t-80 -83.58 110.22 18.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.771 0.32 . . . . 0.0 111.06 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 57.06 83.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.81 102.75 11.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -92.66 -58.11 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.472 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.402 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 42.0 t0 -124.91 159.16 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.326 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -110.14 103.36 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.02 0.438 . . . . 0.0 111.798 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.5 t -111.84 109.56 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.982 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 21.72 11.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.604 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -177.59 121.72 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.403 ' CG2' ' CD1' ' A' ' 138' ' ' LEU . 2.3 p -101.37 108.5 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.684 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.416 ' N ' HD21 ' A' ' 138' ' ' LEU . 5.6 t -114.13 127.6 55.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.298 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.58 67.04 0.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.533 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -60.62 -43.77 97.08 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.187 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.63 -65.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 110.752 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 135' ' ' ARG . 0.3 OUTLIER 45.33 39.55 4.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.093 0.473 . . . . 0.0 110.705 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -115.36 143.02 45.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 62.5 mt -111.34 113.07 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.435 . . . . 0.0 111.599 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.87 136.52 45.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.78 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.586 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 10.4 t70 -108.06 122.13 46.24 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.622 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -124.84 131.24 53.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.724 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 57.58 21.27 6.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 111.217 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 89.63 0.5 78.89 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 3.3 tm? -91.88 139.15 30.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -101.16 122.97 53.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.554 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 26.5 mttt -116.76 136.92 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.703 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -118.32 141.48 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.494 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 123' ' ' MET . 0.0 OUTLIER -138.48 119.16 14.03 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.691 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 72.8 t -130.74 114.71 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.437 176.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.854 HG12 ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -99.23 120.99 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.785 0.802 . . . . 0.0 109.95 177.481 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 13' ' ' ALA . 6.2 mt -106.82 153.21 22.81 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.418 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.7 142.15 34.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.503 0.668 . . . . 0.0 111.688 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.653 ' N ' ' O ' ' A' ' 11' ' ' ALA . 4.8 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.059 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.51 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.239 0 CA-C-O 120.236 -0.202 . . . . 0.0 112.955 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.17 139.96 34.03 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.961 0.41 . . . . 0.0 111.146 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -147.04 128.57 15.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.438 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 38.4 p90 -94.77 147.71 23.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.901 0.381 . . . . 0.0 111.849 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CE1' ' CA ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -108.6 169.2 8.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.672 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -100.06 99.32 10.03 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.655 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 1.3 t -106.71 151.34 8.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.487 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.641 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.1 m -96.1 103.8 15.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.328 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.641 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 112.71 -45.15 0.0 OUTLIER 'General case' 0 C--N 1.346 0.428 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.655 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.65 169.62 11.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.447 179.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 138' ' ' LEU . . . -147.62 121.27 9.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.731 ' HA3' HG12 ' A' ' 137' ' ' ILE . . . -115.52 143.05 17.96 Favored Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.78 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.518 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -109.58 141.96 41.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.88 0.371 . . . . 0.0 110.116 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.433 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -111.77 125.15 53.68 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.163 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.622 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -124.69 162.73 23.56 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.415 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -115.08 159.6 20.64 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.388 -178.178 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 132' ' ' ILE . . . -107.43 -151.8 17.48 Favored Glycine 0 CA--C 1.491 -1.422 0 CA-C-N 114.77 -1.104 . . . . 0.0 113.263 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.531 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 178.65 -24.96 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 113.268 -1.466 . . . . 0.0 109.886 -178.599 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' OD2' ' CD2' ' A' ' 20' ' ' HIS . 0.7 OUTLIER -165.27 29.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.472 179.744 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.515 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.7 mt 80.27 -51.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.199 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.588 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -67.0 -31.92 72.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.531 ' HG3' ' HB3' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -61.36 -42.56 98.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.829 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -73.74 -46.49 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.161 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 30.9 m-85 -52.36 -54.54 30.44 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.527 ' HB2' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -63.43 -33.14 74.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.911 0.386 . . . . 0.0 110.727 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 17' ' ' ALA . 3.9 m-20 -63.14 -33.13 74.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.44 73.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.2 91.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -34.39 64.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.967 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.518 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -59.4 -50.52 73.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.5 tpt -71.84 -30.58 65.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 2.1 m-85 -64.23 -52.15 60.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.65 -30.87 45.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.421 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 20.2 t -81.57 -35.45 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.929 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -35.73 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.7 -89.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.39 107.91 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.736 0.303 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.578 ' HB ' ' HA ' ' A' ' 80' ' ' PHE . 2.9 p -72.12 -21.44 61.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.336 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 p -64.81 63.29 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER 177.89 -17.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.553 179.198 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.584 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 51.2 t -110.09 134.78 51.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.752 0.311 . . . . 0.0 110.305 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.68 -82.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.409 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.4 ' HA ' ' HA2' ' A' ' 102' ' ' GLY . . . 175.75 105.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -104.63 -32.17 9.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.967 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.745 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.3 mm-40 -135.73 151.98 50.69 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.11 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 101' ' ' MET . 18.7 tt0 -132.41 142.07 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 111.212 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -139.15 156.3 47.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.708 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.1 142.92 45.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.049 0.452 . . . . 0.0 111.142 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 t -127.45 145.41 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.65 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -125.94 144.6 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.078 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -138.55 151.83 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.796 -179.01 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.3 m -121.83 114.87 21.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.692 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 t -120.53 163.74 17.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.631 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HG3' ' HA2' ' A' ' 93' ' ' GLY . 1.5 mt-10 -155.01 29.74 0.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.373 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' VAL . 8.3 t70 -174.94 24.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.774 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 63.83 -67.86 0.1 Allowed 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.866 0.365 . . . . 0.0 111.818 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' ASP . 9.0 p -54.1 -35.72 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.627 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -42.85 99.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.24 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -54.22 -53.38 54.28 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.688 0.28 . . . . 0.0 110.359 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -38.46 78.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.069 0.461 . . . . 0.0 110.344 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.421 ' CE1' ' CG ' ' A' ' 120' ' ' PHE . 4.8 t80 -63.48 -35.07 79.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.004 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.91 -11.8 24.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.665 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.507 ' HA ' ' CE3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -72.83 -52.85 13.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.957 0.408 . . . . 0.0 111.0 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -47.85 72.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -51.95 -33.3 37.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.97 -40.49 96.53 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.246 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD22 ' CE2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -61.46 -32.04 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.101 179.137 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.408 ' CD1' ' CG1' ' A' ' 118' ' ' VAL . 0.8 OUTLIER -59.46 -52.54 65.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.883 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.39 -45.87 61.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 13.6 mt -59.01 -34.94 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 77' ' ' PHE . 7.5 m170 -56.72 -53.29 59.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.942 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.422 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -73.79 -32.9 63.99 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.761 0.315 . . . . 0.0 110.292 179.24 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.1 m -64.07 -18.34 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -165.06 72.01 0.18 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.977 178.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 74' ' ' ASP . 73.0 m-85 -45.31 91.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.745 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' GLU . 33.9 pt -112.22 134.81 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.322 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -83.01 -41.35 18.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.044 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 3.6 t80 -119.87 145.84 46.31 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 101' ' ' MET . 0.3 OUTLIER -154.3 130.76 10.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.237 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -82.19 150.0 27.62 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.523 ' HB2' ' HB3' ' A' ' 27' ' ' GLU . 1.4 p90 -106.3 119.73 40.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 122.025 0.917 . . . . 0.0 113.162 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.611 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -134.96 115.15 13.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.728 -1.578 . . . . 0.0 107.112 176.571 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -124.46 149.23 28.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.909 0.861 . . . . 0.0 112.733 -178.468 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.758 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -130.06 118.77 22.04 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.849 -178.614 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.405 ' CG2' ' HG3' ' A' ' 23' ' ' GLU . 3.2 tt -128.42 142.69 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 121.939 -0.476 . . . . 0.0 110.999 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 31.9 t70 -124.34 120.62 32.67 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.59 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -105.6 112.07 25.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.725 0.774 . . . . 0.0 110.912 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.67 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -133.21 -167.06 1.86 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.299 -1.318 . . . . 0.0 108.43 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' LYS . 4.2 t70 -19.22 -37.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 164.58 -33.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.051 0.453 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.508 ' O ' ' CE ' ' A' ' 90' ' ' LYS . . . -75.43 78.54 1.13 Allowed Glycine 0 C--O 1.226 -0.352 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.916 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 88' ' ' ASP . 0.6 OUTLIER -93.13 140.4 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.986 0.422 . . . . 0.0 111.33 -179.062 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 6.5 p80 -125.94 143.59 51.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.373 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.758 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 8.0 tt -110.73 141.36 44.12 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.702 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.596 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.91 119.48 28.9 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.611 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -124.94 148.82 16.85 Favored Glycine 0 C--N 1.313 -0.717 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.935 -178.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.402 ' CB ' ' HG2' ' A' ' 84' ' ' LYS . 31.6 m -118.86 142.72 47.48 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.751 0.31 . . . . 0.0 111.81 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -137.02 132.51 34.35 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.794 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.745 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 4.0 ttt -130.97 153.65 48.98 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.998 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.443 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 106.94 58.21 0.6 Allowed Glycine 0 C--N 1.338 0.674 0 C-N-CA 119.844 -1.17 . . . . 0.0 112.581 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.593 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.3 tt0 -103.21 116.04 31.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.039 0.447 . . . . 0.0 110.983 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 177.88 69.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.418 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.437 HG22 HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -72.86 127.86 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.287 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.2 140.52 39.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.5 104.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.274 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.11 30.24 55.48 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.664 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -79.17 115.98 19.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 61.18 113.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -108.65 129.17 55.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -158.02 -176.22 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -89.63 127.54 35.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.61 144.0 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.5 m -70.04 109.41 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.398 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -55.61 -20.9 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.791 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -141.16 125.33 17.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.934 0.397 . . . . 0.0 111.909 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.42 ' CG2' ' CD1' ' A' ' 138' ' ' LEU . 7.3 p -98.79 107.91 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.258 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 137' ' ' ILE . 94.0 m -116.13 129.84 56.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 35.6 p90 -69.53 69.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.532 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -59.32 -43.79 92.66 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.689 -178.5 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -64.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.633 0.254 . . . . 0.0 110.477 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 135' ' ' ARG . 1.4 mtt 44.81 48.98 9.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.066 0.46 . . . . 0.0 110.671 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -128.59 146.26 50.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.588 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' A' ' 26' ' ' PHE . 2.6 pt -111.18 112.94 42.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.022 0.439 . . . . 0.0 111.488 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.76 151.37 27.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.817 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 2.0 p30 -110.78 121.68 45.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.275 0.56 . . . . 0.0 112.318 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 131' ' ' LEU . 18.0 tt0 -125.24 138.3 54.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.81 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 59.61 19.62 8.2 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.119 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 85.26 0.61 88.54 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -105.62 145.67 30.7 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.27 143.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.677 0.275 . . . . 0.0 110.468 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -133.25 137.07 45.93 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.027 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -110.79 138.9 46.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.668 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -134.95 120.13 18.85 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.658 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 25.1 t -130.07 114.77 30.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.857 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.731 HG12 ' HA3' ' A' ' 14' ' ' GLY . 1.0 OUTLIER -97.96 135.55 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-O 121.443 0.64 . . . . 0.0 110.071 177.671 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 5.3 mt -123.29 152.8 41.03 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.497 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.21 142.37 33.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.387 0.613 . . . . 0.0 112.075 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.37 -1.287 . . . . 0.0 112.5 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.712 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--O 1.226 -0.363 0 CA-C-O 119.955 -0.358 . . . . 0.0 112.906 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -142.27 139.66 31.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 117.166 0.483 . . . . 0.0 110.766 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -148.08 153.56 39.06 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.851 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -110.01 147.32 33.74 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.632 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -120.44 144.74 47.79 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -178.094 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 31.84 27.17 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.836 ' HB ' ' CB ' ' A' ' 13' ' ' ALA . 8.0 p -106.38 150.56 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 C-N-CA 119.896 -0.721 . . . . 0.0 112.676 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.458 ' H ' HG21 ' A' ' 9' ' ' VAL . 6.5 m -58.44 -36.9 74.38 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.259 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -159.72 -43.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.499 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -125.94 119.98 29.18 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -179.697 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.836 ' CB ' ' HB ' ' A' ' 9' ' ' VAL . . . -150.51 165.97 31.62 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.506 -1.224 . . . . 0.0 110.487 176.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.93 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -43.51 131.56 6.05 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 119.629 -1.272 . . . . 0.0 110.027 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 135' ' ' ARG . 1.3 m-85 -105.29 152.08 23.34 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.691 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.484 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -109.36 124.16 50.51 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.712 ' HA ' ' O ' ' A' ' 3' ' ' GLY . . . -121.0 163.69 17.9 Favored 'General case' 0 CA--C 1.491 -1.326 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.378 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.443 ' CD2' ' CG ' ' A' ' 133' ' ' LYS . 7.5 m-85 -134.31 154.39 51.34 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.341 -177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' HA3' HG12 ' A' ' 132' ' ' ILE . . . -114.64 -141.72 7.68 Favored Glycine 0 CA--C 1.487 -1.695 0 CA-C-O 122.449 1.027 . . . . 0.0 113.632 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 175.12 -29.23 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 112.716 -1.742 . . . . 0.0 108.882 -177.621 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 7.8 t70 -150.37 33.04 0.64 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.452 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER 74.49 -58.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.957 -179.216 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 3.3 mt-10 -58.12 -31.17 66.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.04 0.447 . . . . 0.0 109.978 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HG2' ' HB3' ' A' ' 20' ' ' HIS . 3.4 tp10 -64.79 -47.36 78.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.395 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 22' ' ' LEU . 9.3 p -66.57 -38.88 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' A' ' 61' ' ' LEU . 21.8 m-85 -65.82 -43.72 87.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.825 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -55.21 -38.71 68.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.356 179.401 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -70.2 -26.96 64.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.21 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.618 ' CB ' ' CE2' ' A' ' 65' ' ' TRP . . . -64.39 -35.14 79.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.568 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' CB ' ' CD1' ' A' ' 83' ' ' PHE . . . -73.3 -22.56 60.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.896 0.379 . . . . 0.0 110.765 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.413 HD22 ' CE2' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -73.88 -32.51 63.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.613 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' A' ' 4' ' ' PHE . . . -54.03 -52.28 61.33 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.11 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.686 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -71.92 -39.48 69.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -53.38 -33.01 52.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.002 0.43 . . . . 0.0 110.475 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.0 -30.57 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.332 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.3 mmm -75.27 -33.34 61.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.534 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 39' ' ' ASP . 5.4 t 48.53 -174.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.625 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 38' ' ' THR . 35.8 t0 81.79 -15.09 0.74 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.943 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.702 ' HA ' ' HB2' ' A' ' 80' ' ' PHE . 1.0 OUTLIER -72.08 -21.72 61.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.144 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 t -69.06 -2.97 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.797 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -124.32 15.48 9.0 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.688 0.28 . . . . 0.0 111.38 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.55 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 59.5 t -119.02 135.04 60.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.062 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 4.1 mt-10 -78.87 -80.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.603 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 175.13 104.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.544 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.448 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -87.47 -56.33 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.79 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.807 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.3 mm-40 -131.17 142.12 50.17 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 101' ' ' MET . 25.6 tt0 -120.36 122.47 40.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.951 0.405 . . . . 0.0 111.192 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -122.38 144.53 48.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.492 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -102.54 142.03 34.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.04 0.448 . . . . 0.0 110.95 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.47 146.87 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.576 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.44 143.94 51.01 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -139.91 146.12 25.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.014 -178.736 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.41 114.08 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.258 0.551 . . . . 0.0 110.632 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 41.5 t -121.02 164.29 16.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.784 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -152.4 54.0 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 111.046 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.9 t0 -178.86 10.79 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 63.92 -69.88 0.08 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.705 0.288 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 57' ' ' ASP . 29.5 m -54.43 -43.25 62.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.765 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.1 t -63.81 -34.54 78.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.252 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.494 ' CD2' ' CE2' ' A' ' 26' ' ' PHE . 1.9 tt -53.93 -34.66 60.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.745 ' O ' ' HE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -64.67 -49.38 71.22 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.492 178.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -54.22 -34.69 61.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.27 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -9.56 59.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.745 ' HE3' ' O ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -73.04 -54.42 8.6 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.449 -179.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.733 ' HG ' ' CZ2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -73.85 -43.81 57.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.769 -178.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -33.05 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.143 0.497 . . . . 0.0 109.728 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.2 78.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.65 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' HA ' ' CG2' ' A' ' 72' ' ' ILE . 8.1 mp -72.03 -32.14 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.482 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -52.61 53.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.477 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -50.4 32.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.563 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.445 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 2.7 tt -53.74 -34.33 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.897 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -53.02 30.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.076 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -73.63 -33.63 64.62 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 120.775 0.322 . . . . 0.0 110.139 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -18.84 64.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 78' ' ' ILE . 3.4 pt-20 -163.67 73.11 0.29 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.162 178.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -46.36 93.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.439 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 76' ' ' GLU . 21.2 pt -112.33 124.51 69.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.621 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.423 ' CD2' HG13 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -73.46 -41.18 63.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.014 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.702 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 1.3 t80 -119.46 141.8 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.759 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' ' 101' ' ' MET . 1.7 t -154.32 130.4 10.3 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.534 -0.467 . . . . 0.0 112.195 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -86.22 136.96 32.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.469 ' CD1' ' CB ' ' A' ' 30' ' ' ALA . 5.8 m-85 -105.47 120.75 42.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.98 0.895 . . . . 0.0 113.153 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.517 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -134.23 114.69 13.31 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 176.607 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -112.97 148.81 15.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.59 0.71 . . . . 0.0 112.498 -178.026 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.62 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.7 tttm -130.35 132.81 46.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.93 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.0 mt -128.5 129.47 68.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.535 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.88 122.01 23.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.949 0.404 . . . . 0.0 111.787 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' HG2' HD12 ' A' ' 94' ' ' LEU . 6.9 mt-10 -105.48 114.21 28.25 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.173 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -131.13 -169.46 2.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.88 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.42 11.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.592 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -109.51 -18.25 13.56 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.836 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.401 ' O ' HD23 ' A' ' 94' ' ' LEU . . . 125.49 -106.16 0.87 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.552 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 3.0 mm? -135.73 133.15 37.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.841 0.353 . . . . 0.0 111.639 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.55 142.43 51.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.263 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 1.6 tt -127.75 129.32 46.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.777 0.322 . . . . 0.0 111.228 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.62 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -124.75 119.26 28.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.844 0.354 . . . . 0.0 110.11 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.517 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.94 148.51 17.05 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.332 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 m -119.13 142.54 47.84 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 111.911 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 48' ' ' GLU . . . -140.75 133.29 28.6 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.472 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.807 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 7.5 ttt -124.58 146.0 49.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.54 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.448 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 110.61 80.97 1.17 Allowed Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.108 -1.044 . . . . 0.0 111.392 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.63 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -116.06 161.96 18.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.803 0.335 . . . . 0.0 111.589 -178.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 103' ' ' GLU . 3.9 tt0 92.81 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.179 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.423 HG13 ' CD2' ' A' ' 79' ' ' LEU . 7.3 tt -72.69 137.93 22.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.224 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -97.65 138.82 34.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.675 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.79 127.57 32.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.84 38.34 73.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.488 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.412 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 9.1 t-160 -83.53 102.6 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.777 0.323 . . . . 0.0 111.071 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 61.18 124.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.044 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -108.68 121.03 44.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.15 -179.39 6.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.522 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -89.75 127.46 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.717 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.66 143.79 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.961 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.2 114.7 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.406 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -85.8 19.44 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.559 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -161.22 90.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.724 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.26 109.09 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.823 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 137' ' ' ILE . 2.9 m -113.07 129.9 56.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.838 -178.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 28.3 p90 -74.1 65.44 1.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 178.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.683 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 1.3 t-80 -62.03 -44.08 97.46 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.67 -62.33 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.743 0.306 . . . . 0.0 110.427 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.493 ' HA ' HG21 ' A' ' 136' ' ' VAL . 25.0 mtt 47.7 51.83 13.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.23 0.538 . . . . 0.0 110.389 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.58 162.78 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.658 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -116.97 119.07 60.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 111.605 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.53 136.46 43.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.772 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.9 OUTLIER -98.69 122.4 41.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.06 0.457 . . . . 0.0 111.828 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -124.68 119.65 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.473 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 59.06 22.19 10.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.24 0.79 73.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.052 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.1 OUTLIER -100.24 145.3 28.23 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.463 HG12 ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.97 142.24 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.131 0.491 . . . . 0.0 111.814 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -133.96 137.61 44.94 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.923 178.119 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 62' ' ' LEU . . . -110.21 137.93 47.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.575 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -140.07 121.57 15.15 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -179.028 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.93 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 96.7 t -130.46 115.11 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.425 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.763 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 1.9 mp -82.65 133.07 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-O 121.234 0.54 . . . . 0.0 110.501 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.454 HD23 HG11 ' A' ' 136' ' ' VAL . 1.2 mt -125.04 151.87 45.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.063 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.81 112.6 20.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.294 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.431 ' CD2' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.382 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.475 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.877 -0.089 . . . . 0.0 112.877 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 2.8 p90 -107.05 140.01 40.55 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.474 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.95 134.51 20.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.898 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.462 ' CB ' ' CD1' ' A' ' 15' ' ' PHE . 9.8 p90 -114.44 147.55 39.1 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 14' ' ' GLY . 1.3 p90 -108.81 140.03 42.82 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.393 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.34 103.96 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.614 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -106.51 150.82 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.237 177.46 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.628 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 92.6 m -88.33 108.93 19.59 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.699 -0.401 . . . . 0.0 109.958 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.628 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 105.39 -44.23 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.32 0.581 . . . . 0.0 109.774 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.614 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.67 168.39 12.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.335 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 138' ' ' LEU . . . -149.0 120.24 7.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.526 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.685 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -115.06 127.84 7.84 Favored Glycine 0 CA--C 1.508 -0.359 0 C-N-CA 120.117 -1.04 . . . . 0.0 110.855 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -106.41 147.27 29.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.402 0.62 . . . . 0.0 111.387 -178.312 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.46 ' CD1' ' HB3' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -111.58 125.36 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.673 179.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -126.43 156.99 39.74 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.365 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.617 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -126.15 159.6 32.47 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.329 -178.244 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' HA3' HD12 ' A' ' 132' ' ' ILE . . . -118.35 -162.57 12.29 Favored Glycine 0 CA--C 1.476 -2.368 0 CA-C-O 123.142 1.412 . . . . 0.0 113.912 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.514 ' H ' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -140.19 4.47 2.03 Favored 'General case' 0 N--CA 1.407 -2.583 0 CA-C-N 111.343 -2.429 . . . . 0.0 109.061 -179.071 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -176.67 34.7 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.548 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.558 ' O ' HG13 ' A' ' 25' ' ' VAL . 4.9 mp 67.69 -57.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.76 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 8.9 pm0 -62.45 -31.42 72.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.187 0.518 . . . . 0.0 109.973 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.514 ' HB2' ' H ' ' A' ' 20' ' ' HIS . 59.7 mm-40 -58.43 -43.94 88.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.398 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 22' ' ' LEU . 4.0 p -73.5 -38.5 52.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.377 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.414 ' CB ' HG21 ' A' ' 85' ' ' VAL . 7.1 m-85 -55.11 -42.9 73.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 0.0 110.45 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 6.3 mt-10 -57.51 -36.78 71.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.166 0.508 . . . . 0.0 109.736 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.45 -27.06 63.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.078 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.84 -42.01 64.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' CB ' ' CD1' ' A' ' 69' ' ' LEU . . . -90.88 -21.83 21.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.96 -37.12 48.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.47 -48.64 80.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.776 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.417 ' HE1' ' CD1' ' A' ' 34' ' ' PHE . 2.7 ptt? -71.95 -35.78 69.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD1' ' HE1' ' A' ' 33' ' ' MET . 2.9 m-85 -72.01 -36.4 69.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.56 -32.82 70.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.415 HG23 ' CE2' ' A' ' 15' ' ' PHE . 21.1 t -87.89 -31.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.993 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.9 mtp -78.69 -30.17 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.75 -168.81 2.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.6 98.39 5.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.481 ' HA ' ' HB2' ' A' ' 80' ' ' PHE . 1.7 p -71.98 -21.68 61.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.68 -22.46 1.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.733 0.301 . . . . 0.0 111.081 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mp -105.82 38.75 1.92 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.616 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.1 p -91.27 114.71 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.281 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 -7.01 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.302 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.73 103.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.94 -19.83 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.632 ' O ' ' HA ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -148.93 169.52 20.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.958 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -143.24 124.06 14.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.473 ' O ' ' HA ' ' A' ' 99' ' ' THR . 4.8 mmm180 -121.0 152.53 38.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.447 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -123.78 142.82 50.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.919 0.39 . . . . 0.0 111.168 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 97' ' ' THR . 21.5 t -133.05 148.8 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.678 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.86 142.2 51.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -139.81 152.2 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 17.4 p -121.64 114.27 20.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.45 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 94' ' ' LEU . 30.2 t -120.84 163.92 17.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.337 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -151.93 40.1 0.63 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.772 0.32 . . . . 0.0 111.323 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' VAL . 0.6 OUTLIER -175.95 19.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 62.94 -69.35 0.07 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.775 0.321 . . . . 0.0 111.067 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 57' ' ' ASP . 11.9 p -54.19 -45.08 66.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -38.31 75.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.488 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -57.08 -36.57 70.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.984 0.421 . . . . 0.0 109.954 179.331 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.407 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -71.97 -43.64 64.84 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.073 179.069 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.4 -35.03 74.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.682 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.91 -24.39 23.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.36 -53.08 61.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 111.003 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.434 ' CD1' ' CG1' ' A' ' 136' ' ' VAL . 0.5 OUTLIER -72.91 -41.21 64.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -179.669 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -51.1 -33.14 24.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.132 0.492 . . . . 0.0 109.842 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.67 -35.89 77.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.779 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.444 ' HA ' ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -71.17 -31.76 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.52 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -50.28 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.699 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -52.18 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.872 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 tp -54.27 -33.84 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.718 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.8 t60 -49.97 -52.55 32.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.139 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.14 -30.25 63.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 0.0 110.286 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.1 m -64.17 -19.1 65.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 78' ' ' ILE . 1.0 OUTLIER -166.05 70.21 0.13 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.713 178.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.643 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -49.4 92.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.565 179.644 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 76' ' ' GLU . 2.5 pt -112.04 124.16 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.29 0.567 . . . . 0.0 111.13 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.558 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.481 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 30.6 p90 -122.17 141.94 50.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 111.447 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -154.25 161.95 41.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.9 144.55 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.414 ' CE1' HD13 ' A' ' 69' ' ' LEU . 51.1 m-85 -124.94 123.36 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.311 0.577 . . . . 0.0 112.113 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.429 ' HG2' ' HB ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -126.7 115.85 20.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.981 178.641 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 23' ' ' GLU . 1.2 m -110.14 149.71 13.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.431 0.634 . . . . 0.0 111.24 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 97' ' ' THR . 5.1 tttp -127.79 119.13 25.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.672 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.499 HG22 HD13 ' A' ' 87' ' ' ILE . 6.5 mt -109.8 124.29 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.013 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.3 123.8 26.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.727 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -77.22 114.58 16.18 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.566 ' C ' ' H ' ' A' ' 92' ' ' ASP . 6.7 mmtp -75.12 -169.56 0.97 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.761 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.65 5.75 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER 171.23 -33.27 0.0 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.812 0.339 . . . . 0.0 110.357 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.65 -151.91 27.32 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.756 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -135.99 133.89 37.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.852 0.358 . . . . 0.0 111.8 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.554 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 1.0 OUTLIER -127.26 120.65 29.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.942 178.835 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.581 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 9.8 tt -109.55 139.93 43.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.496 . . . . 0.0 111.802 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -123.11 119.26 29.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.782 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 85' ' ' VAL . . . -118.6 148.48 18.42 Favored Glycine 0 C--N 1.32 -0.314 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.37 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 3.3 m -129.59 142.44 50.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.561 0.22 . . . . 0.0 111.242 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.93 131.66 35.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.066 0.46 . . . . 0.0 111.414 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.632 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 4.1 ptt? -131.82 155.74 47.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.599 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.02 34.75 7.45 Favored Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.357 -0.925 . . . . 0.0 111.235 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.538 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -94.5 116.27 28.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.29 -0.455 . . . . 0.0 111.302 -178.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -179.78 98.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.367 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.643 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 7.3 tp -72.54 130.91 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.184 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.01 156.24 22.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -30.3 64.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -115.77 58.46 0.46 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.421 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -59.29 141.91 53.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 0.0 110.771 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.53 120.72 8.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -108.78 102.62 11.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -95.69 -72.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.1 159.15 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.758 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.73 103.7 16.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.401 . . . . 0.0 111.097 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.45 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . 24.0 t -111.46 109.74 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.668 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -65.27 -26.87 68.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.347 -179.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 171.09 -172.63 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.925 0.393 . . . . 0.0 111.36 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.521 ' HA ' HD11 ' A' ' 138' ' ' LEU . 4.1 m -118.35 113.22 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.607 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.7 m -115.09 104.54 11.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 111.561 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -37.81 101.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.534 179.3 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.655 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 20.1 t-160 -55.13 -37.43 66.9 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 122.447 1.118 . . . . 0.0 108.634 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.61 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 112.922 -1.945 . . . . 0.0 107.845 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.408 ' HG3' ' CB ' ' A' ' 120' ' ' PHE . 3.1 mtm 54.13 56.0 7.56 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.176 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -117.52 134.39 54.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.131 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 9.6 tt -96.29 112.27 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.009 0.433 . . . . 0.0 110.928 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.63 136.38 44.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.195 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.587 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 13.5 p-10 -106.73 121.84 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.061 0.458 . . . . 0.0 111.274 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.85 127.19 46.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.55 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 57.75 21.44 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 111.084 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 90.98 0.51 74.45 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.694 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.8 OUTLIER -98.61 145.69 26.59 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -100.56 143.23 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 CA-C-O 120.802 0.334 . . . . 0.0 111.867 -179.347 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -134.68 136.13 42.54 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.062 177.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -125.38 138.46 54.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.585 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.46 ' HB3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -116.77 119.91 36.9 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.685 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 23.2 t -130.44 116.5 35.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.655 ' N ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -85.28 140.41 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.152 0.981 . . . . 0.0 110.523 177.68 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -128.64 151.88 49.0 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.983 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -81.38 112.1 18.35 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.298 -177.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 115' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.657 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.688 -0.165 . . . . 0.0 112.688 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.552 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 14.0 p90 -141.9 139.56 32.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.76 0.314 . . . . 0.0 110.732 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -147.42 130.53 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.652 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 12.4 p90 -111.75 147.14 36.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.937 0.399 . . . . 0.0 111.634 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.0 140.22 42.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.111 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.98 107.37 5.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -106.32 151.08 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.908 178.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.627 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 91.3 m -90.23 104.94 17.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.203 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 109.7 -46.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.591 0.71 . . . . 0.0 109.581 -178.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.584 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -119.37 169.6 9.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.87 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.17 121.37 10.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.445 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.945 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -117.77 137.06 12.9 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.086 -1.054 . . . . 0.0 112.946 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -106.22 155.39 19.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.587 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.552 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -111.31 140.81 45.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.28 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.647 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.76 136.82 54.29 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.541 0.686 . . . . 0.0 110.036 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.445 ' CE1' ' HG2' ' A' ' 133' ' ' LYS . 47.1 m-85 -112.97 152.27 29.59 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.942 -177.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.485 ' C ' ' CD2' ' A' ' 20' ' ' HIS . . . -129.77 -172.48 13.16 Favored Glycine 0 CA--C 1.473 -2.591 0 CA-C-O 122.918 1.288 . . . . 0.0 113.625 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -147.77 0.07 0.64 Allowed 'General case' 0 N--CA 1.408 -2.572 0 CA-C-N 111.809 -2.195 . . . . 0.0 110.47 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 4.5 t70 -178.73 34.36 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.769 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 2.1 mt 72.5 -57.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.001 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.0 mt-10 -57.51 -31.33 65.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.365 0.602 . . . . 0.0 110.386 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' HG3' ' ND1' ' A' ' 20' ' ' HIS . 1.8 mm-40 -66.58 -47.28 73.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.043 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG1' ' HB ' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -62.71 -52.24 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.669 -179.366 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.457 ' HB2' HG21 ' A' ' 85' ' ' VAL . 50.5 m-85 -49.86 -37.58 31.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.237 0.541 . . . . 0.0 110.173 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.507 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -69.86 -40.89 75.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.665 179.004 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.404 ' HB3' ' CB ' ' A' ' 17' ' ' ALA . 11.9 t-20 -70.65 -27.34 63.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.103 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.77 -49.41 65.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.385 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.02 -27.76 61.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.908 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HA ' ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -54.95 -31.34 60.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.403 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' CB ' ' HB2' ' A' ' 15' ' ' PHE . . . -68.72 -53.51 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 0.0 111.356 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.454 ' CE ' ' CE1' ' A' ' 73' ' ' HIS . 22.4 ptm -72.16 -41.49 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.131 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -66.55 -33.14 75.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.582 0.229 . . . . 0.0 111.552 -178.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.489 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -65.62 -30.83 71.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 m -99.74 -36.62 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.456 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.6 mmt -54.49 -22.84 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.393 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 176.8 170.21 0.5 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.881 0.372 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -96.85 87.74 4.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.615 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.473 ' CG2' ' CE2' ' A' ' 34' ' ' PHE . 1.7 p -71.97 -21.56 61.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.428 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.535 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 1.2 m -62.22 76.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.74 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.535 ' HB3' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER 170.93 -8.39 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.744 179.327 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.516 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 16.7 t -116.72 134.91 58.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.809 0.338 . . . . 0.0 110.74 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -79.04 -81.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.468 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 178.47 101.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.983 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.68 -2.68 26.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.22 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.564 ' CB ' ' CB ' ' A' ' 103' ' ' GLU . 9.6 tp10 -149.49 168.47 23.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -178.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.05 141.3 31.27 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.976 0.417 . . . . 0.0 111.214 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.3 mmm180 -141.33 141.79 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.201 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -118.99 142.95 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 0.0 111.258 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.7 t -132.21 143.72 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -125.75 139.38 53.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.03 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.44 HG22 HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -139.72 151.94 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.079 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 m -122.09 114.44 20.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.782 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.499 ' HB3' ' HG ' ' A' ' 94' ' ' LEU . 15.1 t -120.79 163.88 17.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.321 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -141.58 29.94 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.636 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' VAL . 11.2 t70 -175.45 26.43 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 63.84 -67.39 0.1 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.834 0.35 . . . . 0.0 111.538 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' ASP . 25.0 m -54.04 -42.11 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.759 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -40.21 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.884 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 55' ' ' SER . 0.3 OUTLIER -54.09 -52.88 59.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.799 0.333 . . . . 0.0 110.106 179.349 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.591 HD13 ' HG2' ' A' ' 123' ' ' MET . 0.1 OUTLIER -52.58 -41.71 63.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.048 0.452 . . . . 0.0 110.022 179.104 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -55.7 -35.1 65.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.374 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -97.3 -26.29 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.307 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.444 ' NE1' ' O ' ' A' ' 26' ' ' PHE . 24.7 t-105 -59.15 -53.05 62.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.952 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -71.53 -45.05 63.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.33 -33.22 28.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.184 0.516 . . . . 0.0 109.61 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.57 -37.59 82.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.726 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.454 ' HA ' ' CG2' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -70.0 -31.93 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.565 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -50.97 71.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.595 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -52.14 20.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.867 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -53.91 -34.56 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.763 -179.435 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.454 ' CE1' ' CE ' ' A' ' 33' ' ' MET . 0.2 OUTLIER -50.33 -52.8 33.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.118 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -29.32 62.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.319 . . . . 0.0 110.318 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -63.66 -17.66 63.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.7 65.25 0.06 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.067 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.631 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -55.24 94.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.038 179.14 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.6 pt -111.77 144.21 20.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.638 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -45.13 94.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.135 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.516 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -119.78 144.77 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.166 0.508 . . . . 0.0 111.693 -178.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.4 t -154.32 130.51 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.894 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -91.04 150.61 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -123.67 122.52 38.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.721 0.772 . . . . 0.0 112.403 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.472 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.54 115.27 15.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 177.68 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.507 HG11 ' N ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -110.42 148.89 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.957 0.884 . . . . 0.0 112.749 -177.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 97' ' ' THR . 4.4 tptm -130.38 139.61 50.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.332 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.493 HG13 ' HG3' ' A' ' 23' ' ' GLU . 96.2 mt -123.97 124.04 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.315 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -133.42 122.8 24.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.562 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -98.09 114.09 26.17 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.416 0.627 . . . . 0.0 109.706 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -120.67 -169.42 1.81 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.43 -179.443 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.12 8.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.773 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -121.21 39.71 3.76 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.475 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.36 -104.0 2.0 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.224 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.499 ' HG ' ' HB3' ' A' ' 55' ' ' SER . 0.1 OUTLIER -136.44 141.22 43.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.6 0.238 . . . . 0.0 110.52 179.4 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' ' 96' ' ' LEU . 6.0 t60 -127.58 143.88 51.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 95' ' ' HIS . 9.4 tt -121.41 138.46 54.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.656 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.19 119.68 30.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.417 179.373 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -121.14 148.38 17.45 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.349 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -123.84 142.8 50.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.801 0.334 . . . . 0.0 111.54 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 49' ' ' ARG . . . -134.27 132.76 40.01 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.078 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.514 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.53 154.96 47.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.037 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' ' 80' ' ' PHE . . . 104.88 60.52 0.65 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.859 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.564 ' CB ' ' CB ' ' A' ' 47' ' ' GLU . 5.4 tt0 -94.91 115.67 27.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.657 0.265 . . . . 0.0 110.874 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 1.3 tt0 168.41 98.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.631 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 10.9 tp -86.89 127.63 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -92.93 157.16 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.119 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.15 -54.97 40.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.12 57.38 3.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.315 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 106.72 0.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.949 0.405 . . . . 0.0 111.046 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -58.44 121.46 10.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -108.76 132.26 54.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.24 -76.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.02 159.06 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -116.78 110.92 19.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.418 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.826 ' HA ' ' OXT' ' A' ' 140' ' ' LEU . 12.7 p -111.13 112.25 39.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.351 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 140' ' ' LEU . 12.5 ptmt -63.47 -24.01 67.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.782 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.28 170.18 3.12 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 8.0 p -117.89 108.88 25.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.591 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 121' ' ' HIS . 38.3 m -115.1 130.65 56.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.443 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 119' ' ' THR . 7.8 p90 -28.88 86.04 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.557 0.694 . . . . 0.0 111.336 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.57 ' CG ' ' H ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -77.19 -44.99 28.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.366 -178.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.494 ' HB3' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 171.56 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.591 ' HG2' HD13 ' A' ' 62' ' ' LEU . 6.5 ttm 43.8 63.14 1.68 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.728 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -141.48 143.52 33.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.104 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.458 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 5.8 pt -96.46 113.44 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 111.466 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.36 136.38 43.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.961 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.502 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 2.0 p30 -101.39 122.5 43.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.1 0.476 . . . . 0.0 111.915 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -124.55 127.26 47.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.463 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 t0 59.27 20.32 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.985 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.07 0.64 73.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.053 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.502 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 13.6 mt -100.26 145.18 28.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.439 ' CG1' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.9 136.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.943 0.401 . . . . 0.0 111.925 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -134.31 137.07 43.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.198 178.15 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -113.48 148.98 34.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.729 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.494 ' HD2' ' HB3' ' A' ' 122' ' ' MET . 0.0 OUTLIER -128.38 120.32 26.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.945 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 15.6 t -130.97 114.06 26.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.499 176.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.736 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -106.83 115.57 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.43 1.492 . . . . 0.0 109.567 177.536 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.496 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . 1.1 mt -105.32 152.89 22.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.161 0.505 . . . . 0.0 112.204 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.85 112.86 19.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.0 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.826 ' OXT' ' HA ' ' A' ' 115' ' ' VAL . 9.1 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.631 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.426 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.709 -0.156 . . . . 0.0 112.709 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -104.48 140.01 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.372 . . . . 0.0 111.048 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -146.49 144.37 29.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.236 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.456 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 7.3 p90 -114.37 147.6 38.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.98 0.419 . . . . 0.0 111.958 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.434 ' CE1' ' HA3' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -108.88 140.11 42.81 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.623 178.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -77.84 100.03 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.6 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 1.3 t -106.67 151.04 8.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.733 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.626 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.7 m -94.74 106.25 18.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.096 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.626 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 110.52 -43.59 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.433 0.635 . . . . 0.0 109.446 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.6 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.86 168.64 12.49 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.211 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 138' ' ' LEU . . . -147.96 120.09 8.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.427 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.704 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -116.51 136.31 12.72 Favored Glycine 0 CA--C 1.507 -0.419 0 C-N-CA 120.096 -1.049 . . . . 0.0 111.353 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -105.94 147.99 28.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.094 0.473 . . . . 0.0 110.589 -179.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.474 ' HA ' ' O ' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -120.25 125.3 47.76 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.975 179.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -123.19 149.69 44.32 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.151 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.566 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -113.16 146.83 38.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.769 -178.133 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.464 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -108.31 -166.96 21.21 Favored Glycine 0 CA--C 1.472 -2.611 0 CA-C-O 123.212 1.451 . . . . 0.0 114.155 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.483 ' CG ' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -145.76 6.19 1.05 Allowed 'General case' 0 N--CA 1.406 -2.633 0 CA-C-N 111.218 -2.491 . . . . 0.0 109.481 -179.052 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -177.46 27.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.293 -179.757 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 4.8 mt 74.48 -55.83 0.65 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.642 0.377 . . . . 0.0 111.455 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 12.2 pm0 -62.81 -31.39 72.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.368 0.604 . . . . 0.0 109.513 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG3' ' CG ' ' A' ' 20' ' ' HIS . 3.5 mm-40 -57.43 -40.98 79.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.787 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -72.54 -44.59 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.276 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.509 ' HB2' HG22 ' A' ' 85' ' ' VAL . 11.5 m-85 -49.96 -45.68 51.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.914 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 89.2 mt-10 -54.92 -44.88 74.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.64 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -70.15 -27.45 64.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.181 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.98 -25.21 11.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.353 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.74 -27.22 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -42.27 87.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.441 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . . . -52.33 -51.3 59.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.409 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.2 ttp -69.89 -47.49 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.463 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -60.62 -33.49 72.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.874 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.64 -39.03 86.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.721 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -85.89 -41.47 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -23.88 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 t 171.57 148.47 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.738 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -72.94 87.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.734 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 80' ' ' PHE . 18.6 p -68.89 -27.91 66.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -51.91 -20.01 2.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.656 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -8.48 55.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.657 0.265 . . . . 0.0 111.406 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.513 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 40.9 t -118.84 135.12 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.465 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 6.0 mm-40 -79.81 -80.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.698 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 174.11 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.535 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -97.69 -29.79 13.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.07 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.5 mm-40 -134.51 170.18 16.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.352 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -142.28 127.84 19.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.886 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.93 150.16 52.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.255 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -115.68 142.95 46.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.112 0.482 . . . . 0.0 111.298 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.2 t -125.95 149.09 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.457 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.24 143.52 50.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.191 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.435 HD13 ' CE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -139.53 152.05 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.918 0.39 . . . . 0.0 111.616 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -119.46 114.53 22.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.328 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.8 t -120.58 163.51 17.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.176 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG2' ' HA2' ' A' ' 93' ' ' GLY . 16.8 mt-10 -152.74 23.55 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.759 0.314 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.8 t0 -164.11 16.29 0.06 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.995 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 64.86 -65.79 0.14 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 111.326 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' ASP . 7.4 p -54.21 -47.13 68.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.867 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -57.45 -34.88 69.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.421 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.479 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 2.7 tm? -54.01 -51.24 64.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 110.652 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 123' ' ' MET . 0.1 OUTLIER -57.17 -37.91 72.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.121 0.486 . . . . 0.0 110.348 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -60.5 -35.1 75.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.208 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -98.84 -22.15 15.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.599 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.435 ' CE3' HD13 ' A' ' 53' ' ' ILE . 6.5 t-105 -62.85 -53.42 54.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -42.44 62.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -34.14 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.141 0.496 . . . . 0.0 109.725 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.16 -45.54 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.903 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.407 ' O ' ' CG ' ' A' ' 73' ' ' HIS . 2.9 mm? -72.18 -32.02 66.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.904 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -52.33 61.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.735 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.401 ' O ' ' CG2' ' A' ' 75' ' ' THR . 1.0 OUTLIER -57.16 -52.45 65.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.677 -179.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.429 ' HB ' ' CD2' ' A' ' 77' ' ' PHE . 2.1 pp -64.34 -44.32 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 111.768 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.463 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 36.1 m170 -52.36 -48.31 65.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.944 0.402 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -29.1 62.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.412 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' GLU . 68.8 p -64.14 -2.24 1.96 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.688 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 75' ' ' THR . 1.5 tp10 80.18 43.8 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.203 0.525 . . . . 0.0 110.213 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.429 ' CD2' ' HB ' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -84.73 -77.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.867 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.507 ' CG2' ' HA ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -131.65 152.45 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.817 -178.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 tp -88.38 -39.85 13.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.101 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.513 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -119.83 144.49 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.855 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.45 130.48 10.24 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.204 -0.599 . . . . 0.0 112.185 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -85.88 128.53 34.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.631 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -105.23 122.66 46.4 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.554 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.1 114.71 14.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.231 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -111.9 150.07 14.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.497 0.665 . . . . 0.0 111.84 -177.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.651 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.4 OUTLIER -126.59 118.99 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.682 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.413 HD12 ' HB2' ' A' ' 22' ' ' LEU . 4.5 mt -107.63 144.64 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.389 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 12.1 m-20 -131.93 121.23 23.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.021 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.75 113.04 26.37 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.807 0.813 . . . . 0.0 111.018 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.819 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -132.28 -167.95 1.97 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.323 -1.308 . . . . 0.0 108.676 179.139 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 90' ' ' LYS . 70.4 m-20 -4.13 -45.74 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.819 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER 167.31 -36.66 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.795 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.422 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -86.87 100.13 2.53 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 88' ' ' ASP . 0.3 OUTLIER -94.22 127.48 40.1 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.186 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -100.36 143.73 30.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.136 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.544 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 10.4 tt -110.2 141.66 42.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.651 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -119.34 119.21 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.39 178.431 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.554 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -122.65 148.82 16.93 Favored Glycine 0 C--N 1.32 -0.338 0 C-N-CA 120.926 -0.654 . . . . 0.0 114.104 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -118.79 142.7 47.47 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.463 0.305 . . . . 0.0 111.43 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 82' ' ' LYS . . . -135.21 132.7 38.22 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.066 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.558 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 5.4 ptm -130.64 155.36 46.69 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.062 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.511 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 97.35 55.26 1.19 Allowed Glycine 0 C--N 1.335 0.492 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.649 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.1 tt0 -92.77 115.93 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.055 0.455 . . . . 0.0 111.486 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 173.61 65.53 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.535 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.424 HG21 HD11 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -72.71 135.9 26.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.114 -179.821 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 109' ' ' HIS . 0.0 OUTLIER -122.44 142.33 50.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.573 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.09 106.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.29 38.55 95.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.216 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.422 ' CE1' ' HD2' ' A' ' 106' ' ' LYS . 1.1 t-160 -76.48 108.11 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.242 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 60.75 115.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -108.72 137.51 46.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 -67.17 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.749 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -128.32 145.17 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -120.97 103.68 9.23 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.329 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.3 m -97.41 122.27 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.784 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -8.68 32.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -179.75 167.17 1.36 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.959 0.409 . . . . 0.0 111.96 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.43 ' CG1' ' CD1' ' A' ' 138' ' ' LEU . 70.3 t -118.21 108.75 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.592 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 137' ' ' ILE . 11.6 m -115.53 104.36 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.323 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -42.48 110.91 0.2 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.634 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 2.5 t60 -55.23 -42.58 73.61 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.85 1.31 . . . . 0.0 108.159 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.428 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 31.6 tpp -165.64 -35.39 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 112.141 -2.3 . . . . 0.0 107.264 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.442 ' O ' ' HB3' ' A' ' 62' ' ' LEU . 12.2 mtt 51.55 70.96 0.48 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.819 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -157.99 146.64 19.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.316 -179.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.571 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 75.4 mt -96.5 114.06 32.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.23 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -103.15 136.41 42.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.512 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.7 OUTLIER -96.59 121.8 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.613 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -125.24 126.82 45.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.065 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 t70 60.03 20.52 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 87.99 0.51 83.24 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -97.53 146.24 25.45 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.619 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -99.96 135.81 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.214 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 24.4 mtpp -134.31 136.66 43.65 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.914 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -117.43 144.09 45.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.225 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.428 ' HD2' ' CB ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -130.26 121.74 26.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -178.424 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.704 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 18.6 t -130.09 116.26 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.634 ' N ' ' HB2' ' A' ' 121' ' ' HIS . 0.7 OUTLIER -85.7 141.55 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.8 1.24 . . . . 0.0 110.228 177.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 2.6 mm? -128.76 150.89 50.1 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.701 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -82.54 136.91 34.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.479 0.656 . . . . 0.0 112.057 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.922 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.9 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 120.372 -0.127 . . . . 0.0 113.166 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 15.0 p90 -142.02 139.6 32.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.956 0.378 . . . . 0.0 111.263 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -147.22 135.16 21.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.307 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.465 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 6.6 p90 -114.55 147.31 39.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 112.117 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.441 ' CZ ' ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -109.16 140.22 43.03 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.638 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -84.02 104.07 13.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.558 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 1.0 OUTLIER -106.45 150.89 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.608 177.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.63 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.1 m -88.03 110.86 20.93 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.63 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 104.73 -44.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.405 0.622 . . . . 0.0 109.329 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.558 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.88 168.25 13.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.916 179.542 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 138' ' ' LEU . . . -148.75 120.5 8.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.221 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.747 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -110.38 136.24 13.45 Favored Glycine 0 CA--C 1.505 -0.558 0 C-N-CA 119.677 -1.249 . . . . 0.0 111.582 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.465 ' CD2' ' HB3' ' A' ' 6' ' ' PHE . 2.4 m-85 -105.75 157.4 17.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.169 0.509 . . . . 0.0 110.604 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.474 ' N ' ' O ' ' A' ' 5' ' ' GLU . 28.8 m95 -111.44 131.59 55.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.698 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.703 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.37 149.2 42.23 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-O 121.3 0.571 . . . . 0.0 109.788 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -112.43 159.34 18.84 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.471 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.558 ' HA3' ' CG1' ' A' ' 132' ' ' ILE . . . -112.16 -174.42 19.54 Favored Glycine 0 CA--C 1.489 -1.537 0 CA-C-O 122.623 1.124 . . . . 0.0 114.652 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -150.62 1.75 0.45 Allowed 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 112.393 -1.903 . . . . 0.0 110.389 -178.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 0.7 OUTLIER 165.29 37.4 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.224 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 2.9 mm? 71.66 -54.96 0.67 Allowed 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.379 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 0.6 OUTLIER -54.86 -42.64 72.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.083 0.468 . . . . 0.0 110.121 179.187 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.514 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 1.9 tp10 -53.35 -47.6 69.24 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -62.56 -40.3 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.723 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 60.5 m-85 -54.48 -54.18 44.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.685 0.279 . . . . 0.0 111.727 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 83' ' ' PHE . 1.1 mm-40 -70.34 -32.86 70.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.767 0.317 . . . . 0.0 110.585 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -60.86 -28.28 68.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -45.98 77.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.726 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 83' ' ' PHE . . . -67.01 -27.65 67.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.72 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -56.71 18.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.223 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.25 -41.3 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.347 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.8 -48.66 44.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.291 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 4.7 m-85 -65.55 -42.33 91.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.49 -30.76 42.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.412 HG23 ' CZ ' ' A' ' 15' ' ' PHE . 21.6 t -95.51 -39.86 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.232 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -37.86 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 179.09 -172.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.17 146.78 43.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.421 ' CB ' ' HB3' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -58.12 -41.02 82.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.411 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.9 t 68.95 -62.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.562 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.87 34.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.628 0.252 . . . . 0.0 111.609 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.2 t -91.34 113.83 27.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 44.6 mm-40 -94.06 16.47 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.376 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HA ' ' CA ' ' A' ' 102' ' ' GLY . . . 79.25 75.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 110.816 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.36 -44.97 20.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.313 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.561 ' O ' ' HA ' ' A' ' 101' ' ' MET . 14.6 mm-40 -114.29 170.75 8.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.088 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.76 141.02 33.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.704 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.4 ' CZ ' ' CG2' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -137.4 122.99 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -106.26 142.83 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.742 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 97' ' ' THR . 23.8 t -130.43 146.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.75 133.65 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.44 HD13 ' CE3' ' A' ' 65' ' ' TRP . 0.3 OUTLIER -139.85 147.47 23.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.391 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.415 HG22 ' CD2' ' A' ' 95' ' ' HIS . 10.4 p -122.53 112.63 18.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.992 0.425 . . . . 0.0 110.839 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.481 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.58 163.86 19.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.655 178.167 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -140.45 56.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.462 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.8 t0 -179.47 22.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? 60.85 -74.32 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.754 0.312 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' ASP . 33.7 m -54.23 -41.81 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -41.22 75.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.159 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' A' ' 96' ' ' LEU . 15.3 tp -53.94 -35.27 61.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.779 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -72.58 -48.56 38.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.254 179.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -55.37 -39.0 69.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.317 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.92 -15.0 40.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.413 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.468 ' CE3' ' O ' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -72.88 -53.15 12.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.834 0.349 . . . . 0.0 111.235 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.43 ' CD1' ' CG1' ' A' ' 136' ' ' VAL . 0.6 OUTLIER -70.96 -42.48 69.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.112 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -33.28 20.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.183 0.516 . . . . 0.0 109.888 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -67.72 -38.87 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.639 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.8 -31.85 73.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.522 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -52.55 59.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.949 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -71.46 -44.07 65.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.4 ' CG2' ' CZ ' ' A' ' 49' ' ' ARG . 18.6 mt -59.48 -34.49 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.231 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -50.27 -52.95 32.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.197 -179.563 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.57 -32.49 64.17 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.805 0.336 . . . . 0.0 110.231 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.4 m -64.15 -18.68 64.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 78' ' ' ILE . 2.9 mt-10 -164.31 72.32 0.23 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.845 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -58.77 92.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.503 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 103' ' ' GLU . 1.1 pt -112.98 138.0 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 109' ' ' HIS . 88.4 mt -54.58 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 34' ' ' PHE . 9.9 t80 -126.28 155.39 42.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.416 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 101' ' ' MET . 2.0 t -154.21 163.51 40.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.436 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -80.12 138.27 36.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.054 0.454 . . . . 0.0 110.094 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.559 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 51.2 m-85 -105.57 122.52 46.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 112.877 -177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG2' ' HB ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -132.39 125.38 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.063 177.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.55 ' HB ' ' HG2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -126.38 150.31 31.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.997 0.903 . . . . 0.0 112.755 -177.698 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -127.85 139.75 52.44 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 113.923 -1.49 . . . . 0.0 110.71 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.41 HG13 ' CG ' ' A' ' 23' ' ' GLU . 12.8 mt -126.26 123.58 63.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.369 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -133.71 122.65 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.387 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.23 113.84 25.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.394 0.616 . . . . 0.0 109.791 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -120.16 -169.49 1.8 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.392 -179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.19 9.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.679 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' A' ' 90' ' ' LYS . 3.3 m-20 -123.81 39.16 4.03 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.132 0.491 . . . . 0.0 109.885 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.64 -102.77 2.02 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.783 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.449 HD12 ' CD1' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -136.58 146.93 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.429 ' N ' ' CD1' ' A' ' 94' ' ' LEU . 47.1 t-80 -127.05 143.98 51.15 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.739 0.304 . . . . 0.0 111.579 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.522 ' HB2' HD12 ' A' ' 61' ' ' LEU . 6.9 tt -121.39 136.19 54.99 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.349 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.652 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.97 119.71 29.52 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 178.182 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -122.58 148.65 16.94 Favored Glycine 0 C--N 1.315 -0.583 0 C-N-CA 121.083 -0.579 . . . . 0.0 113.789 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.428 ' HB ' ' HG2' ' A' ' 84' ' ' LYS . 3.2 m -128.33 142.67 51.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.814 0.34 . . . . 0.0 111.592 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -140.2 132.29 27.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.72 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.561 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.98 155.03 47.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.925 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 45' ' ' ALA . . . 104.41 54.11 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.279 -0.963 . . . . 0.0 111.539 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.3 tt0 -99.5 118.16 35.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.891 0.377 . . . . 0.0 111.24 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 177.84 82.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.058 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.566 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 1.1 tt -72.53 138.09 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.802 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -112.68 144.03 42.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.688 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.14 -49.16 33.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.952 0.406 . . . . 0.0 110.553 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -96.26 55.86 1.5 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.63 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.03 152.31 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 111.321 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -66.54 132.92 49.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HD2' ' CE1' ' A' ' 109' ' ' HIS . 0.7 OUTLIER -108.61 137.12 47.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -63.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.738 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.23 149.67 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -86.47 104.08 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 139' ' ' ASP . 14.8 p -108.18 113.09 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -25.33 67.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.142 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 174.69 -177.23 0.09 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.946 0.403 . . . . 0.0 111.671 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.432 ' CG2' ' CD1' ' A' ' 138' ' ' LEU . 2.7 p -117.33 110.05 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.614 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.3 m -115.25 104.51 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.328 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 34.6 p90 -40.95 106.85 0.06 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.362 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.647 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 4.5 t60 -55.24 -38.45 68.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 122.866 1.317 . . . . 0.0 108.02 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.459 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -176.96 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 112.056 -2.338 . . . . 0.0 106.975 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 51.33 62.84 2.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.141 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -133.33 142.99 48.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.037 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 4.1 pt -96.41 113.16 30.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.99 136.46 42.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.18 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 1.5 m-20 -97.91 122.45 41.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.003 0.43 . . . . 0.0 111.811 -178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.55 118.35 26.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.448 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.95 23.6 13.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.42 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.38 0.74 72.85 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.533 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 12.8 mt -101.99 145.73 28.87 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.558 ' CG1' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.6 136.55 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.883 -179.256 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.703 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 4.2 mttp -134.15 137.41 44.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.412 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -115.58 148.3 39.74 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.277 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.459 ' HD2' ' CB ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -125.71 120.17 29.94 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -179.175 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.747 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 11.1 t -130.43 116.81 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.647 ' N ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -85.86 140.82 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.364 1.066 . . . . 0.0 110.069 177.082 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 13' ' ' ALA . 2.4 mm? -131.04 151.94 50.88 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.919 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 115' ' ' VAL . 0.7 OUTLIER -81.79 112.21 18.73 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.627 -177.188 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.464 ' HB3' ' HA ' ' A' ' 115' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.536 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.91 0.386 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -65.61 -50.62 64.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.88 8.26 68.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.001 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.589 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.9 p90 -141.83 139.5 32.72 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.753 0.311 . . . . 0.0 110.934 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' TRP . 10.6 pt-20 -147.26 128.11 14.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.441 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 25.8 p90 -111.9 147.57 35.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.125 0.488 . . . . 0.0 112.176 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.01 154.21 22.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.755 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -89.95 102.89 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.632 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 1.4 t -106.44 151.06 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.969 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.632 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 67.9 m -94.95 110.84 22.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.632 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 106.77 -45.88 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.632 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.66 168.88 12.08 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.318 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' HA ' ' A' ' 137' ' ' ILE . . . -147.66 120.97 8.97 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.505 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.77 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -116.39 135.94 12.46 Favored Glycine 0 CA--C 1.502 -0.773 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.925 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.36 154.84 20.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.972 -0.614 . . . . 0.0 109.759 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.589 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -111.07 130.96 55.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.593 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.23 150.47 40.03 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-O 121.54 0.686 . . . . 0.0 110.376 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -112.7 159.45 18.9 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.284 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.488 ' HA2' ' HB3' ' A' ' 24' ' ' GLU . . . -112.08 -152.51 11.86 Favored Glycine 0 CA--C 1.492 -1.405 0 CA-C-O 122.551 1.084 . . . . 0.0 114.455 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.421 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -179.36 -28.94 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 112.479 -1.86 . . . . 0.0 109.222 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -154.95 29.9 0.41 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.339 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.2 OUTLIER 76.79 -56.71 0.55 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.013 -179.285 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 0.4 OUTLIER -57.81 -33.4 68.55 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.488 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 4.7 tp10 -54.75 -47.17 74.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.797 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.45 HG11 ' CA ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -63.75 -45.5 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 94.5 m-85 -56.32 -54.8 41.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.584 ' HB3' ' CG1' ' A' ' 85' ' ' VAL . 2.8 pp20? -66.2 -32.59 74.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.418 ' HA ' HD21 ' A' ' 31' ' ' LEU . 8.8 t-20 -65.44 -27.61 68.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.542 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.28 98.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 83' ' ' PHE . . . -59.33 -40.25 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.342 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -59.33 -35.93 74.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.282 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . . . -53.22 -47.99 68.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.46 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.419 ' HE2' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -71.8 -48.77 44.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -47.84 84.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.758 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.49 -30.55 41.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.762 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -104.07 -24.86 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' MET . 1.8 tpt -75.76 -24.62 56.06 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.846 0.355 . . . . 0.0 110.429 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.3 t -165.88 -167.28 1.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -125.37 88.09 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.18 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.52 ' HB ' ' HA ' ' A' ' 80' ' ' PHE . 2.6 p -68.27 -22.11 64.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.9 p -62.25 78.19 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.946 0.403 . . . . 0.0 110.975 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER 173.3 -35.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.052 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.569 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 52.9 t -96.19 134.76 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.832 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.8 -82.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 175.89 103.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.702 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -97.19 -23.24 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.098 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.558 ' HB2' ' HB3' ' A' ' 103' ' ' GLU . 4.9 mm-40 -136.65 170.67 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.239 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -141.78 142.95 33.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 100' ' ' ALA . 3.0 mtp180 -141.31 147.09 37.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.34 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -123.96 142.8 50.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.912 0.387 . . . . 0.0 111.158 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 97' ' ' THR . 38.9 t -125.09 147.4 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 140.01 53.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.317 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.575 ' CG1' ' HB3' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.75 151.42 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.259 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.8 m -121.9 113.86 20.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.699 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 94' ' ' LEU . 38.3 m -121.25 164.4 17.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.798 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -149.27 41.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' VAL . 1.5 t0 -166.3 5.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? 62.7 -70.52 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 111.216 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' ASP . 10.1 p -54.15 -35.67 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -70.73 -29.99 66.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.646 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.532 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -53.96 -39.47 65.98 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -65.75 -48.57 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.792 178.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' OH ' ' CE2' ' A' ' 120' ' ' PHE . 11.7 t80 -56.97 -34.97 68.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.866 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.76 -19.69 22.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.464 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.436 ' CD1' ' HB3' ' A' ' 26' ' ' PHE . 2.6 t-105 -72.72 -53.22 12.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.752 0.311 . . . . 0.0 111.254 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 ' CD1' ' CG2' ' A' ' 136' ' ' VAL . 0.7 OUTLIER -71.22 -41.47 70.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.885 -179.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.57 -33.77 60.8 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -36.25 83.79 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.412 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -65.56 -32.07 73.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.437 179.351 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -47.26 82.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.815 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.17 -52.31 24.46 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 69' ' ' LEU . 4.1 pt -58.59 -33.44 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.569 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -49.46 -51.49 35.51 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.991 -179.386 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.14 -29.57 62.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.734 0.302 . . . . 0.0 110.219 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.3 m -64.14 -18.69 64.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.32 68.11 0.09 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.053 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.614 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -62.89 95.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.149 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.541 ' CG2' ' HA ' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -112.33 152.77 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.955 -178.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.431 HD22 ' CD2' ' A' ' 109' ' ' HIS . 0.2 OUTLIER -65.95 -45.53 81.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.573 -178.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.569 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 2.2 t80 -119.5 147.59 44.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.511 . . . . 0.0 111.819 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.5 t -154.31 130.5 10.37 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.262 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -91.48 146.75 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.418 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 14.6 m-85 -117.07 121.48 41.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.893 0.854 . . . . 0.0 112.727 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.619 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.2 OUTLIER -133.38 135.87 44.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.242 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.584 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -131.63 149.45 32.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.84 0.829 . . . . 0.0 112.579 -178.11 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.679 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.8 ttpt -129.63 118.96 22.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.368 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.532 HD12 ' CD2' ' A' ' 26' ' ' PHE . 9.5 mt -116.02 124.51 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.152 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -131.68 122.81 26.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.181 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -77.13 114.17 15.65 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.578 ' C ' ' H ' ' A' ' 92' ' ' ASP . 5.7 mmtm -75.02 -169.59 0.95 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.443 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.95 4.44 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 90' ' ' LYS . 10.9 p-10 171.29 -32.52 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.936 0.398 . . . . 0.0 110.309 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.84 -157.66 33.89 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.183 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -135.91 145.31 46.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.511 -0.345 . . . . 0.0 111.042 -178.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.451 ' O ' ' HA ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -127.37 143.72 51.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.833 179.464 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.575 ' HB3' ' CG1' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -127.92 125.56 39.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.642 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.679 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -125.33 119.22 27.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.051 0.453 . . . . 0.0 109.845 178.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.619 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.76 148.71 17.06 Favored Glycine 0 C--N 1.317 -0.525 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.744 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.409 ' CB ' ' HG2' ' A' ' 84' ' ' LYS . 9.5 m -118.97 142.86 47.41 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.928 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ARG . . . -134.69 132.75 39.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.666 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.536 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 8.2 ptp -130.47 155.69 46.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.565 0.222 . . . . 0.0 111.33 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 97.6 64.11 0.89 Allowed Glycine 0 C--N 1.334 0.436 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.961 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 29.7 tt0 -109.02 116.96 32.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.031 0.443 . . . . 0.0 111.556 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.54 86.67 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.677 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.614 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 5.3 tt -79.43 137.91 20.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.373 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -103.77 167.48 9.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.75 -44.49 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.792 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -104.61 64.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.305 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.463 ' CE1' HG13 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -61.32 144.7 53.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.7 108.37 16.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -108.78 137.54 46.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -114.6 -76.83 0.57 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -91.78 158.69 16.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.738 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -121.09 113.5 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 111.493 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 138' ' ' LEU . 3.1 p -111.39 129.12 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.411 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.416 ' HB2' ' OXT' ' A' ' 140' ' ' LEU . 4.0 mmtt -88.5 -19.97 25.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.995 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.29 173.73 0.08 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.24 108.26 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.388 178.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 120' ' ' PHE . 1.1 m -115.93 104.25 11.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.895 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.538 ' C ' ' O ' ' A' ' 119' ' ' THR . 2.2 m-85 17.83 53.17 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.673 0.749 . . . . 0.0 110.703 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.679 ' HB3' ' O ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -55.07 -44.91 75.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.619 -177.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.481 ' HB3' ' CD ' ' A' ' 135' ' ' ARG . 5.4 mmt -169.26 -63.66 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.478 ' HG3' ' C ' ' A' ' 122' ' ' MET . 0.0 OUTLIER 46.1 40.33 7.06 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.279 177.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 2.5 tt0 -114.95 134.17 55.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.302 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.411 ' CD1' HD22 ' A' ' 62' ' ' LEU . 14.2 mm -106.06 113.15 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.973 0.416 . . . . 0.0 111.38 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.64 136.56 43.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.309 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -109.87 122.66 48.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.997 0.427 . . . . 0.0 111.637 -179.443 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -124.46 128.27 48.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.7 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.54 20.35 8.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.86 0.362 . . . . 0.0 111.259 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.17 0.66 73.62 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.197 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 14.6 mt -98.2 145.4 26.65 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.467 HG12 ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.76 141.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.328 0.585 . . . . 0.0 111.861 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -134.16 137.66 44.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.598 178.217 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -116.54 148.64 40.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.629 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -124.01 119.8 30.58 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.77 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 21.6 t -130.95 114.92 28.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.767 HG12 ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -103.39 140.92 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.025 0.93 . . . . 0.0 109.884 176.703 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.596 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -113.99 151.58 32.17 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.127 -176.583 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -81.7 141.36 33.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.521 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 11' ' ' ALA . 6.8 tp . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.726 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.5 mtt . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.769 0.318 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -97.4 37.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.61 19.45 68.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.757 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.679 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.2 p90 -141.61 139.82 33.18 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.491 0.186 . . . . 0.0 110.767 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 16' ' ' TRP . 3.6 pt-20 -147.3 133.05 18.93 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 111.563 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -97.04 148.25 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.973 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -108.41 140.07 42.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.966 0.412 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -59.08 101.97 0.11 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.072 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.702 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 2.0 p -107.17 153.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.852 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.588 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 46.4 m -106.01 56.93 0.66 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.097 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.588 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 148.95 -60.9 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.724 0.297 . . . . 0.0 110.487 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.702 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.01 123.35 40.18 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.152 0.501 . . . . 0.0 111.722 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.631 ' CA ' HG11 ' A' ' 9' ' ' VAL . . . -99.22 128.17 45.31 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.966 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -109.89 146.52 17.1 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.096 -1.201 . . . . 0.0 110.096 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.678 ' O ' ' HA ' ' A' ' 135' ' ' ARG . 2.4 m-85 -105.71 153.44 21.84 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.003 0.43 . . . . 0.0 110.844 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.679 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -110.97 126.06 54.37 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.616 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.4 161.35 20.65 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.495 0.664 . . . . 0.0 110.682 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -119.65 159.6 24.11 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.35 -1.296 . . . . 0.0 111.49 -177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.534 ' HA3' ' CG1' ' A' ' 132' ' ' ILE . . . -116.11 177.37 16.95 Favored Glycine 0 CA--C 1.49 -1.479 0 CA-C-O 122.361 0.978 . . . . 0.0 114.213 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.452 ' HB3' ' CG ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -147.02 4.28 0.83 Allowed 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 112.989 -1.606 . . . . 0.0 110.206 -179.293 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 0.6 OUTLIER 158.13 35.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.297 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER 72.57 -49.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 -179.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.549 ' O ' HG13 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -59.19 -42.77 91.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 20' ' ' HIS . 1.2 tp10 -53.49 -47.36 69.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.26 -31.85 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.668 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 31.6 m-85 -60.16 -54.33 47.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.691 0.281 . . . . 0.0 111.59 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.544 ' HG3' ' N ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -67.58 -34.85 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.262 179.64 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.55 -27.26 68.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.258 0.552 . . . . 0.0 109.677 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.682 ' HB3' ' CZ2' ' A' ' 65' ' ' TRP . . . -70.08 -14.3 62.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.72 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.74 -13.59 20.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.667 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 4.9 tt -89.17 -33.27 17.1 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.541 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -48.51 -45.77 37.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 111.114 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.4 tpt -71.99 -36.68 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 2.5 m-85 -70.99 -48.21 54.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.237 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -53.46 -30.32 40.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.016 0.436 . . . . 0.0 110.546 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.422 HG23 ' CE2' ' A' ' 15' ' ' PHE . 21.8 t -89.59 -48.13 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.358 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 17.6 ptm -47.92 -48.48 31.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.165 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.431 ' CG2' ' HG3' ' A' ' 37' ' ' MET . 0.7 OUTLIER 165.33 170.16 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.17 159.15 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.035 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -58.65 -27.2 64.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' THR . 54.6 m 69.72 -62.17 0.43 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.387 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.05 32.36 0.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.69 102.98 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 110.718 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -106.1 92.0 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.143 0.497 . . . . 0.0 111.261 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 41.49 60.47 2.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.865 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -74.67 -22.88 58.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.915 0.388 . . . . 0.0 110.62 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.672 ' O ' ' HA ' ' A' ' 101' ' ' MET . 0.4 OUTLIER -148.98 170.75 17.64 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.289 -179.669 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.32 122.23 13.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.186 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' HA ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -121.15 141.98 50.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.698 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 142.99 45.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.968 0.413 . . . . 0.0 111.483 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 t -130.56 144.7 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.609 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -125.77 138.84 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.253 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.498 HD13 HG21 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -140.0 143.71 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.419 ' OG1' ' CE1' ' A' ' 95' ' ' HIS . 1.2 m -122.34 112.86 18.62 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.005 0.431 . . . . 0.0 111.234 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.9 m -122.64 163.98 19.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.418 178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -140.02 35.13 1.94 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' VAL . 3.2 t0 -166.17 13.9 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.203 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 65.48 -66.09 0.15 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 111.255 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' ASP . 29.0 m -54.13 -39.12 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.55 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 m -63.01 -37.53 87.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.47 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 55' ' ' SER . 0.2 OUTLIER -54.02 -35.93 62.45 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.655 HD12 ' CE3' ' A' ' 65' ' ' TRP . 1.0 OUTLIER -62.4 -47.34 84.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.352 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -53.19 -33.56 53.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.853 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.61 -14.31 26.63 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.548 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.682 ' CZ2' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -72.35 -55.76 6.57 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.702 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.645 ' N ' ' CG ' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -75.06 -43.54 52.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.682 -178.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -50.24 -35.0 24.97 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -44.77 78.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.829 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -31.86 72.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.899 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -52.37 59.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.36 -43.86 66.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.906 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.3 mt -61.92 -34.24 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.369 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.511 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -50.0 -53.04 29.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.25 -179.338 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -32.28 63.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.749 0.309 . . . . 0.0 110.421 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.2 m -64.06 -18.86 64.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -165.66 71.99 0.16 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.706 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.665 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 1.5 t80 -57.88 92.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.287 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.42 ' CG2' ' CG ' ' A' ' 103' ' ' GLU . 30.0 pt -112.33 137.18 46.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.267 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -65.03 -74.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.299 -179.304 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -121.12 145.08 48.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.008 0.433 . . . . 0.0 110.714 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 73.9 p -154.11 163.11 40.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.072 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.79 144.69 31.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.152 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.522 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 55.6 m-85 -119.98 122.96 42.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.427 0.632 . . . . 0.0 112.38 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.544 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -131.79 131.82 43.25 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.023 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -131.01 149.29 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.711 0.767 . . . . 0.0 112.361 -178.11 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.678 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -130.34 118.97 22.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.444 -178.351 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 23' ' ' GLU . 15.4 mt -110.82 125.26 68.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.674 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -132.87 122.21 24.04 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.876 0.37 . . . . 0.0 111.438 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.95 114.66 18.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.547 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.3 mmtp -74.81 -169.78 0.95 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.944 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -58.25 7.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 90' ' ' LYS . 6.7 p-10 173.62 -36.79 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 109.955 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.09 -162.23 35.48 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.966 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.2 OUTLIER -135.98 143.15 44.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.601 0.239 . . . . 0.0 110.757 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 6.8 t60 -127.35 143.78 51.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 111.641 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.576 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 10.3 tt -122.5 135.64 54.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.678 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.07 119.55 28.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.186 0.517 . . . . 0.0 109.651 178.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -122.24 148.55 17.06 Favored Glycine 0 C--N 1.313 -0.702 0 CA-C-N 115.784 -0.644 . . . . 0.0 113.821 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 3.4 m -127.85 142.27 51.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.479 0.18 . . . . 0.0 111.229 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.56 131.32 37.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.048 0.451 . . . . 0.0 111.143 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.672 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -132.0 155.24 48.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.323 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.434 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 95.14 37.92 4.99 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.061 -1.066 . . . . 0.0 111.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.597 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -97.56 119.29 35.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.172 -0.514 . . . . 0.0 111.034 -178.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 172.33 84.06 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.665 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 9.5 tt -72.6 122.36 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -106.77 143.2 35.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.99 123.79 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.646 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.26 31.93 8.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.131 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -59.02 157.19 10.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.95 140.16 1.48 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.396 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -90.51 135.86 33.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.296 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.57 179.12 6.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.172 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -89.54 126.87 35.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.577 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.21 144.2 49.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.506 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.4 m -69.71 109.51 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.58 -19.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.038 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -150.07 107.21 3.59 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.643 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.426 ' CG2' ' CD1' ' A' ' 138' ' ' LEU . 3.0 p -81.21 107.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.982 0.42 . . . . 0.0 110.118 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 121' ' ' HIS . 59.2 m -116.38 122.16 44.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.465 ' HB2' ' HG2' ' A' ' 123' ' ' MET . 0.1 OUTLIER -66.23 69.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.476 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 0.8 OUTLIER -76.92 -43.56 35.03 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.045 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.456 ' O ' ' HG3' ' A' ' 123' ' ' MET . 10.2 mmt -99.25 -67.49 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 32.31 71.95 0.08 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.296 179.265 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 3.5 mt-10 -163.64 134.51 4.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.065 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.474 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 59.3 mt -103.82 116.59 47.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 111.124 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -103.8 136.71 42.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.292 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.8 OUTLIER -94.3 122.77 37.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.932 0.396 . . . . 0.0 111.389 -179.211 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -124.17 125.4 44.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.667 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 58.6 21.02 8.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.994 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 90.98 0.7 74.11 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.853 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 11.9 mt -100.85 145.15 28.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.693 0.282 . . . . 0.0 110.268 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.534 ' CG1' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -102.45 136.11 36.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.874 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.616 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 10.1 mtmt -134.65 137.34 43.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.892 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -108.83 148.01 31.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.55 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.678 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -139.26 124.91 19.47 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -178.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.966 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 16.4 t -129.84 113.6 27.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.414 176.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.688 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 1.1 mt -95.58 113.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.401 0.619 . . . . 0.0 110.189 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 13' ' ' ALA . 5.6 mt -109.9 152.98 25.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.836 -178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.475 ' HA ' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -81.27 142.12 33.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.242 0.544 . . . . 0.0 111.438 -177.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 11' ' ' ALA . 7.0 tp . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.2 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.836 0.351 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -146.17 -47.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . 92.68 -10.69 73.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.951 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.43 140.08 34.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 111.004 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -144.51 136.14 25.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.453 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 34.7 p90 -114.49 147.5 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.432 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.5 ' CZ ' ' O ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -108.86 140.19 42.65 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 179.312 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.29 103.52 0.15 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.018 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.687 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 1.9 p -107.14 153.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.731 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.59 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 28.1 m -106.99 58.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.241 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 147.82 -59.13 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.687 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.01 124.64 43.01 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.746 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.59 ' CA ' HG12 ' A' ' 9' ' ' VAL . . . -105.82 121.79 44.78 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.615 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -112.37 129.58 9.1 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -105.69 150.19 25.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.091 0.472 . . . . 0.0 111.154 -177.757 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.474 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -110.81 125.04 53.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.393 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -121.13 144.97 48.28 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.473 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.756 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -113.29 144.25 43.04 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.794 -177.334 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' C ' ' CD2' ' A' ' 20' ' ' HIS . . . -91.25 -167.31 40.98 Favored Glycine 0 CA--C 1.474 -2.531 0 CA-C-O 122.947 1.304 . . . . 0.0 113.297 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -143.96 4.02 1.26 Allowed 'General case' 0 N--CA 1.41 -2.468 0 CA-C-N 111.71 -2.245 . . . . 0.0 109.745 -179.183 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -179.35 29.72 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HA ' HG21 ' A' ' 132' ' ' ILE . 0.3 OUTLIER 73.23 -57.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.179 -179.571 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.671 ' HB3' HG13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -58.7 -52.51 65.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.186 0.517 . . . . 0.0 109.714 178.843 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 53.3 mm-40 -53.3 -24.23 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.778 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.447 ' HB ' HG13 ' A' ' 132' ' ' ILE . 2.5 p -73.96 -32.32 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.697 ' CE1' ' HB ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -71.86 -40.95 68.64 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.801 0.334 . . . . 0.0 110.865 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.558 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 2.5 pp20? -62.79 -32.17 73.29 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 109.904 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -27.17 68.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.053 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.33 -43.4 64.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.97 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.448 ' HB1' ' CZ ' ' A' ' 83' ' ' PHE . . . -72.6 -32.98 66.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.977 0.418 . . . . 0.0 110.061 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' HG ' ' CE1' ' A' ' 80' ' ' PHE . 5.5 tt -59.25 -23.83 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.765 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.19 60.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.441 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -28.53 15.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.164 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CD2' ' CD2' ' A' ' 80' ' ' PHE . 3.0 t80 -51.71 -38.43 55.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.501 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -53.29 -30.37 38.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.762 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.9 t -93.87 -53.96 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.394 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.441 ' HB3' ' HB3' ' A' ' 79' ' ' LEU . 22.0 mmt -50.08 -55.98 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.826 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.421 ' CG2' ' HG2' ' A' ' 112' ' ' ARG . 0.7 OUTLIER 49.87 177.06 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.974 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 t70 64.82 8.72 4.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.615 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.642 HG22 ' N ' ' A' ' 80' ' ' PHE . 1.1 p -72.9 -21.5 60.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.507 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -47.06 -22.19 0.32 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.666 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -29.76 48.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -97.34 122.96 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.87 -73.27 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.88 84.8 1.67 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.01 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -98.12 -38.55 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.651 ' O ' ' HA ' ' A' ' 101' ' ' MET . 9.5 mm-40 -136.9 170.13 16.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.738 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -142.09 125.93 17.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.447 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.65 132.95 48.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 111.034 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 142.87 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.57 147.22 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 111.48 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -125.84 144.05 50.81 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.454 ' CD1' HD23 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -139.55 150.95 22.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.647 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 t -121.75 114.48 21.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.674 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -120.65 164.57 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.601 179.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -143.43 31.48 1.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.734 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' VAL . 23.3 t70 -176.02 18.41 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 66.36 -60.2 0.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.374 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' ASP . 5.8 p -53.7 -44.84 59.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.833 0.349 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.4 m -61.73 -30.98 71.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.363 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' CD1' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -53.96 -40.47 66.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.09 -47.39 51.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.555 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.14 -39.5 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.14 -15.81 54.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.291 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.613 ' CD2' ' CE2' ' A' ' 26' ' ' PHE . 1.7 t-105 -72.77 -53.59 11.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 111.08 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' CD1' ' CG1' ' A' ' 136' ' ' VAL . 1.4 mt -71.68 -34.62 69.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -34.07 69.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -52.43 29.54 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.643 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -31.09 67.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.632 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.82 -52.25 57.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -70.48 -44.85 66.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.045 0.45 . . . . 0.0 110.632 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.1 mt -61.01 -33.67 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.118 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -49.54 -49.72 45.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.549 -179.11 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 77' ' ' PHE . 10.4 t0 -73.04 -35.12 66.67 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 m -64.17 -18.29 64.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HB2' ' HG3' ' A' ' 103' ' ' GLU . 4.6 pt-20 -164.9 77.13 0.3 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.484 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.751 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 55.6 m-85 -55.89 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.911 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.7 pt -111.83 147.91 15.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.105 0.478 . . . . 0.0 111.182 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 37' ' ' MET . 7.6 mt -79.4 -81.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.566 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.642 ' N ' HG22 ' A' ' 40' ' ' THR . 16.1 t80 -136.78 142.9 42.97 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.107 0.48 . . . . 0.0 110.471 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.493 ' HB2' ' O ' ' A' ' 101' ' ' MET . 30.1 p -154.23 163.33 40.3 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.104 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -79.65 122.24 26.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.52 ' CB ' ' HB2' ' A' ' 27' ' ' GLU . 88.7 m-85 -104.58 121.67 44.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.586 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.57 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.3 OUTLIER -102.16 136.14 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.532 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.697 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -132.96 149.73 32.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.659 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -129.98 139.11 51.11 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 113.459 -1.7 . . . . 0.0 110.077 -179.256 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.671 HG13 ' HB3' ' A' ' 23' ' ' GLU . 56.3 mt -128.34 124.53 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.328 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -132.95 127.24 33.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.33 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -77.08 115.25 16.71 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.578 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.2 mmtt -74.75 -169.19 0.83 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.431 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.42 2.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 169.4 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.339 0.12 0 CA-C-O 120.804 0.335 . . . . 0.0 110.808 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.98 -145.87 18.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.349 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -135.92 136.58 40.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.463 -0.368 . . . . 0.0 111.099 -178.564 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -127.86 140.5 51.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.527 179.025 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.568 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 8.6 tt -127.94 141.65 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.728 0.299 . . . . 0.0 111.447 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.659 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.79 119.21 27.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.09 0.472 . . . . 0.0 109.893 178.597 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.57 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.96 148.36 17.0 Favored Glycine 0 C--N 1.315 -0.602 0 C-N-CA 120.817 -0.706 . . . . 0.0 114.058 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.6 m -126.08 141.27 52.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.577 0.227 . . . . 0.0 110.497 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -133.82 132.71 40.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.79 0.328 . . . . 0.0 111.335 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.651 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.62 148.05 52.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.441 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 107.99 48.43 0.89 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.58 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.496 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.1 tt0 -104.69 115.98 31.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.812 0.339 . . . . 0.0 111.408 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 176.33 34.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.097 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.751 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 21.5 mm -95.74 138.32 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.938 0.399 . . . . 0.0 111.751 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 169.75 12.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.376 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -62.86 131.4 48.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.146 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.51 47.74 43.9 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.784 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -83.5 104.48 13.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 111.323 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.95 98.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.579 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -108.88 124.07 50.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.732 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -112.53 -32.66 6.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.169 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.483 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 3.9 m-20 -119.21 159.21 24.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.659 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -116.72 104.98 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.404 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 139' ' ' ASP . 12.1 p -111.33 109.71 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.251 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -59.05 -26.49 64.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.502 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 171.86 -176.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.004 0.431 . . . . 0.0 111.541 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' A' ' 138' ' ' LEU . 19.7 t -113.48 108.96 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.873 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 19.2 m -112.38 104.58 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 21.9 p90 -37.29 101.9 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.888 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.664 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 0.8 OUTLIER -55.51 -34.33 64.55 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 122.498 1.142 . . . . 0.0 108.197 178.447 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.417 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 176.92 -32.04 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 112.805 -1.998 . . . . 0.0 107.941 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.427 ' HG3' ' CB ' ' A' ' 120' ' ' PHE . 1.1 mmm 52.13 59.1 4.77 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.753 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.93 134.79 43.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.214 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.643 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 4.3 mt -96.25 112.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.082 0.467 . . . . 0.0 110.703 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.9 pp -103.51 136.53 43.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.137 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.586 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 10.8 p-10 -100.89 121.99 42.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.112 0.482 . . . . 0.0 111.774 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -124.97 128.65 48.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.331 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 t0 59.21 20.44 8.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 89.36 0.67 79.53 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.6 OUTLIER -96.92 146.18 25.19 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.555 0.342 . . . . 0.0 110.1 179.53 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.756 ' O ' ' HA ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -100.3 136.36 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.289 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.643 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 3.2 mtpp -134.49 136.76 43.38 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.783 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -126.34 142.88 51.36 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.566 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.457 ' HD3' ' CD2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -126.15 124.58 40.84 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -178.577 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.615 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 45.8 t -129.79 117.03 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.407 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.664 ' N ' ' HB2' ' A' ' 121' ' ' HIS . 1.0 OUTLIER -86.33 141.43 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.025 0.93 . . . . 0.0 111.851 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -126.9 151.63 48.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.52 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 115' ' ' VAL . 20.5 t0 -82.09 138.62 34.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.335 0.588 . . . . 0.0 112.121 -177.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.522 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.822 0.344 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.2 mttp 60.94 35.0 19.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.949 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . 81.27 8.12 87.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.914 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.02 139.88 34.0 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.832 0.316 . . . . 0.0 110.921 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.18 153.72 40.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.118 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.442 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 34.3 p90 -114.64 147.32 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.349 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -109.05 169.25 8.8 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.453 179.31 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -66.06 92.73 0.18 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.136 0.493 . . . . 0.0 112.271 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.925 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 3.5 p -107.22 152.3 8.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.322 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.62 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 76.7 m -137.45 98.89 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.544 178.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.653 ' O ' ' N ' ' A' ' 140' ' ' LEU . . . 115.29 -42.15 0.01 OUTLIER 'General case' 0 C--N 1.347 0.499 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.925 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.68 171.51 10.02 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.744 ' HA ' HG13 ' A' ' 9' ' ' VAL . . . -146.62 120.84 9.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.104 0.478 . . . . 0.0 111.232 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.854 ' HA3' HG12 ' A' ' 137' ' ' ILE . . . -122.7 129.86 7.66 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 36' ' ' VAL . 1.5 m-85 -107.93 152.22 24.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.033 0.444 . . . . 0.0 110.834 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.539 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -111.36 124.89 53.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.399 179.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.619 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -127.52 157.4 40.23 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.584 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.7 OUTLIER -113.36 159.43 19.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.179 -178.192 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.518 ' HA2' ' HB3' ' A' ' 24' ' ' GLU . . . -109.07 -171.82 20.9 Favored Glycine 0 CA--C 1.489 -1.578 0 CA-C-O 122.426 1.014 . . . . 0.0 113.853 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -139.73 1.58 1.91 Allowed 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 112.671 -1.764 . . . . 0.0 109.736 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 0.9 OUTLIER 155.68 44.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.104 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 2.2 mm? 70.9 -57.81 0.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.461 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 13.0 tt0 -52.0 -31.71 30.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.436 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.518 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 1.6 tp10 -73.56 -47.6 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -59.42 -50.71 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.752 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 22.3 m-85 -49.8 -38.38 34.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.223 0.535 . . . . 0.0 110.12 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.515 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -65.81 -41.68 91.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.867 179.173 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -27.6 64.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.854 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.06 -49.39 66.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.27 64.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -44.01 90.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.86 95.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.417 ' HE1' ' CE1' ' A' ' 73' ' ' HIS . 1.6 tmt? -71.71 -48.64 45.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.64 -33.43 75.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.92 -30.58 64.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.936 0.398 . . . . 0.0 110.606 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.459 ' CG2' ' CZ ' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -85.09 -33.62 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.767 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mmm -79.94 -29.35 39.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.424 ' CG2' ' CD1' ' A' ' 79' ' ' LEU . 12.0 t -177.81 -164.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -122.6 104.0 9.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.896 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 80' ' ' PHE . 36.9 p -71.8 -21.35 61.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.391 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.9 t -40.45 -29.05 0.08 Allowed 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -113.43 61.18 0.65 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.964 0.411 . . . . 0.0 111.151 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.3 p -91.17 134.67 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -21.19 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.512 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.04 113.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.825 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -123.46 -47.94 1.96 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.257 0.551 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.733 ' O ' ' HA ' ' A' ' 101' ' ' MET . 1.0 OUTLIER -121.59 170.92 9.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.441 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -142.38 122.47 13.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -121.16 154.59 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.232 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -123.76 142.94 50.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 111.737 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.9 t -128.37 149.0 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.173 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.78 141.79 51.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.471 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.81 147.74 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.778 -179.28 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 82.8 p -121.84 114.4 20.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.243 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.403 ' CB ' HD12 ' A' ' 61' ' ' LEU . 3.1 t -121.01 163.33 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.871 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -156.25 25.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.638 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -158.6 19.51 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.512 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 65.87 -66.89 0.15 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.499 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.1 m -54.17 -35.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.495 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 t -59.4 -41.6 89.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.123 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -54.11 -47.57 71.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.783 0.325 . . . . 0.0 110.22 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -47.58 61.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.307 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -56.85 -35.03 68.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.88 -17.2 23.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.561 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 26' ' ' PHE . 5.8 t-105 -72.83 -52.93 12.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.637 0.256 . . . . 0.0 111.191 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -43.47 74.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.745 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.21 -33.52 41.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.216 0.532 . . . . 0.0 109.596 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.57 -35.58 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.483 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -71.02 -31.83 68.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.494 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -48.54 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.505 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -52.19 23.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.449 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.455 ' CG1' ' HA ' ' A' ' 69' ' ' LEU . 2.4 pp -55.31 -33.94 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.572 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.417 ' CE1' ' HE1' ' A' ' 33' ' ' MET . 0.1 OUTLIER -49.74 -52.66 29.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.353 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -73.37 -36.6 66.12 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.53 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -64.2 -18.22 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' O ' HG21 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -161.66 76.79 0.52 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.874 178.467 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.432 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -58.8 96.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.139 179.339 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.445 HG22 ' CA ' ' A' ' 103' ' ' GLU . 1.1 pt -112.77 144.37 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.335 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' CD1' ' CG2' ' A' ' 38' ' ' THR . 0.2 OUTLIER -77.61 -71.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.539 -179.238 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.4 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 18.1 p90 -123.86 142.04 51.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -153.8 159.4 41.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.33 150.08 27.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.331 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -118.35 122.4 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.523 0.678 . . . . 0.0 111.994 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.19 115.51 15.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.384 178.289 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.515 ' CG1' ' HB2' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -110.6 149.63 13.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.535 0.683 . . . . 0.0 112.108 -178.4 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.74 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 1.7 tttm -130.65 118.91 21.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.249 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -123.52 140.73 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 121.821 -0.55 . . . . 0.0 110.37 179.213 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -133.06 122.5 24.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.609 -178.657 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -83.0 113.77 20.8 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.542 ' C ' ' H ' ' A' ' 92' ' ' ASP . 3.8 mmtp -92.73 -169.34 2.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.878 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.84 6.36 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.629 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER 172.15 -37.6 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.1 0.476 . . . . 0.0 110.175 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 90' ' ' LYS . . . -108.71 168.44 13.52 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.476 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 88' ' ' ASP . 0.4 OUTLIER -136.28 136.4 39.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.44 0.62 . . . . 0.0 111.995 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.447 ' CE1' ' CB ' ' A' ' 88' ' ' ASP . 19.8 p-80 -105.49 143.5 33.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.625 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.74 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 8.2 tt -114.89 141.0 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 111.6 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.588 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.05 119.18 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.688 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -117.12 148.3 18.84 Favored Glycine 0 C--N 1.315 -0.599 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.494 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 4.7 m -127.25 142.29 51.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.54 132.38 42.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.944 0.402 . . . . 0.0 111.271 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.733 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 5.3 mtt -131.08 155.63 46.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.597 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.79 51.05 4.17 Favored Glycine 0 CA--C 1.507 -0.408 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.532 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -92.67 116.09 28.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.121 -0.539 . . . . 0.0 111.627 -178.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.79 113.88 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.651 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.432 ' CG1' ' O ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -88.27 138.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.916 0.389 . . . . 0.0 111.035 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 109' ' ' HIS . 0.0 OUTLIER -121.65 -172.75 2.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.646 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -93.6 113.45 25.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.444 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 47.86 42.1 21.54 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.236 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 106' ' ' LYS . 1.2 t-80 -83.58 110.22 18.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.771 0.32 . . . . 0.0 111.06 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 57.06 83.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.81 102.75 11.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -92.66 -58.11 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.472 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.402 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 42.0 t0 -124.91 159.16 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.326 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -110.14 103.36 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.02 0.438 . . . . 0.0 111.798 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.5 t -111.84 109.56 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.982 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 21.72 11.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.604 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -177.59 121.72 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.403 ' CG2' ' CD1' ' A' ' 138' ' ' LEU . 2.3 p -101.37 108.5 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.684 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.416 ' N ' HD21 ' A' ' 138' ' ' LEU . 5.6 t -114.13 127.6 55.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.298 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.58 67.04 0.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.533 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -60.62 -43.77 97.08 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.187 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.63 -65.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 110.752 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 135' ' ' ARG . 0.3 OUTLIER 45.33 39.55 4.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.093 0.473 . . . . 0.0 110.705 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -115.36 143.02 45.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 62.5 mt -111.34 113.07 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.435 . . . . 0.0 111.599 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.87 136.52 45.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.78 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.586 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 10.4 t70 -108.06 122.13 46.24 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.622 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -124.84 131.24 53.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.724 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 57.58 21.27 6.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 111.217 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 89.63 0.5 78.89 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 3.3 tm? -91.88 139.15 30.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -101.16 122.97 53.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.554 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 26.5 mttt -116.76 136.92 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.703 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -118.32 141.48 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.494 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 123' ' ' MET . 0.0 OUTLIER -138.48 119.16 14.03 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.691 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 72.8 t -130.74 114.71 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.437 176.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.854 HG12 ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -99.23 120.99 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.785 0.802 . . . . 0.0 109.95 177.481 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 13' ' ' ALA . 6.2 mt -106.82 153.21 22.81 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.418 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.7 142.15 34.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.503 0.668 . . . . 0.0 111.688 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.653 ' N ' ' O ' ' A' ' 11' ' ' ALA . 4.8 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.059 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.752 0.31 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.45 -43.44 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.51 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . 77.29 2.29 78.53 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.955 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.17 139.96 34.03 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.961 0.41 . . . . 0.0 111.146 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -147.04 128.57 15.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.438 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 38.4 p90 -94.77 147.71 23.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.901 0.381 . . . . 0.0 111.849 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CE1' ' CA ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -108.6 169.2 8.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.672 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -100.06 99.32 10.03 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.655 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 1.3 t -106.71 151.34 8.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.487 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.641 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.1 m -96.1 103.8 15.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.328 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.641 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 112.71 -45.15 0.0 OUTLIER 'General case' 0 C--N 1.346 0.428 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.655 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.65 169.62 11.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.447 179.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 138' ' ' LEU . . . -147.62 121.27 9.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.731 ' HA3' HG12 ' A' ' 137' ' ' ILE . . . -115.52 143.05 17.96 Favored Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.78 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.518 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -109.58 141.96 41.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.88 0.371 . . . . 0.0 110.116 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.433 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -111.77 125.15 53.68 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.163 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.622 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -124.69 162.73 23.56 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.415 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -115.08 159.6 20.64 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.388 -178.178 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 132' ' ' ILE . . . -107.43 -151.8 17.48 Favored Glycine 0 CA--C 1.491 -1.422 0 CA-C-N 114.77 -1.104 . . . . 0.0 113.263 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.531 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 178.65 -24.96 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 113.268 -1.466 . . . . 0.0 109.886 -178.599 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' OD2' ' CD2' ' A' ' 20' ' ' HIS . 0.7 OUTLIER -165.27 29.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.472 179.744 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.515 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.7 mt 80.27 -51.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.199 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.588 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -67.0 -31.92 72.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.531 ' HG3' ' HB3' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -61.36 -42.56 98.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.829 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -73.74 -46.49 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.161 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 30.9 m-85 -52.36 -54.54 30.44 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.527 ' HB2' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -63.43 -33.14 74.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.911 0.386 . . . . 0.0 110.727 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 17' ' ' ALA . 3.9 m-20 -63.14 -33.13 74.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.44 73.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.2 91.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -34.39 64.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.967 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.518 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -59.4 -50.52 73.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.5 tpt -71.84 -30.58 65.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 2.1 m-85 -64.23 -52.15 60.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.65 -30.87 45.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.421 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 20.2 t -81.57 -35.45 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.929 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -35.73 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.7 -89.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.39 107.91 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.736 0.303 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.578 ' HB ' ' HA ' ' A' ' 80' ' ' PHE . 2.9 p -72.12 -21.44 61.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.336 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 p -64.81 63.29 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER 177.89 -17.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.553 179.198 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.584 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 51.2 t -110.09 134.78 51.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.752 0.311 . . . . 0.0 110.305 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.68 -82.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.409 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.4 ' HA ' ' HA2' ' A' ' 102' ' ' GLY . . . 175.75 105.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -104.63 -32.17 9.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.967 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.745 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.3 mm-40 -135.73 151.98 50.69 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.11 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 101' ' ' MET . 18.7 tt0 -132.41 142.07 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 111.212 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -139.15 156.3 47.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.708 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.1 142.92 45.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.049 0.452 . . . . 0.0 111.142 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 t -127.45 145.41 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.65 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -125.94 144.6 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.078 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -138.55 151.83 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.796 -179.01 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.3 m -121.83 114.87 21.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.692 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 t -120.53 163.74 17.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.631 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HG3' ' HA2' ' A' ' 93' ' ' GLY . 1.5 mt-10 -155.01 29.74 0.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.373 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' VAL . 8.3 t70 -174.94 24.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.774 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 63.83 -67.86 0.1 Allowed 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.866 0.365 . . . . 0.0 111.818 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' ASP . 9.0 p -54.1 -35.72 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.627 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -42.85 99.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.24 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -54.22 -53.38 54.28 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.688 0.28 . . . . 0.0 110.359 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -38.46 78.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.069 0.461 . . . . 0.0 110.344 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.421 ' CE1' ' CG ' ' A' ' 120' ' ' PHE . 4.8 t80 -63.48 -35.07 79.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.004 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.91 -11.8 24.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.665 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.507 ' HA ' ' CE3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -72.83 -52.85 13.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.957 0.408 . . . . 0.0 111.0 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -47.85 72.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -51.95 -33.3 37.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.97 -40.49 96.53 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.246 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD22 ' CE2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -61.46 -32.04 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.101 179.137 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.408 ' CD1' ' CG1' ' A' ' 118' ' ' VAL . 0.8 OUTLIER -59.46 -52.54 65.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.883 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.39 -45.87 61.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 13.6 mt -59.01 -34.94 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 77' ' ' PHE . 7.5 m170 -56.72 -53.29 59.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.942 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.422 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -73.79 -32.9 63.99 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.761 0.315 . . . . 0.0 110.292 179.24 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.1 m -64.07 -18.34 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -165.06 72.01 0.18 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.977 178.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 74' ' ' ASP . 73.0 m-85 -45.31 91.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.745 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' GLU . 33.9 pt -112.22 134.81 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.322 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -83.01 -41.35 18.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.044 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 3.6 t80 -119.87 145.84 46.31 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 101' ' ' MET . 0.3 OUTLIER -154.3 130.76 10.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.237 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -82.19 150.0 27.62 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.523 ' HB2' ' HB3' ' A' ' 27' ' ' GLU . 1.4 p90 -106.3 119.73 40.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 122.025 0.917 . . . . 0.0 113.162 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.611 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -134.96 115.15 13.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.728 -1.578 . . . . 0.0 107.112 176.571 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -124.46 149.23 28.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.909 0.861 . . . . 0.0 112.733 -178.468 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.758 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -130.06 118.77 22.04 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.849 -178.614 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.405 ' CG2' ' HG3' ' A' ' 23' ' ' GLU . 3.2 tt -128.42 142.69 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 121.939 -0.476 . . . . 0.0 110.999 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 31.9 t70 -124.34 120.62 32.67 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.59 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -105.6 112.07 25.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.725 0.774 . . . . 0.0 110.912 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.67 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -133.21 -167.06 1.86 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.299 -1.318 . . . . 0.0 108.43 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' LYS . 4.2 t70 -19.22 -37.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 164.58 -33.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.051 0.453 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.508 ' O ' ' CE ' ' A' ' 90' ' ' LYS . . . -75.43 78.54 1.13 Allowed Glycine 0 C--O 1.226 -0.352 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.916 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 88' ' ' ASP . 0.6 OUTLIER -93.13 140.4 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.986 0.422 . . . . 0.0 111.33 -179.062 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 6.5 p80 -125.94 143.59 51.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.373 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.758 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 8.0 tt -110.73 141.36 44.12 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.702 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.596 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.91 119.48 28.9 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.611 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -124.94 148.82 16.85 Favored Glycine 0 C--N 1.313 -0.717 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.935 -178.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.402 ' CB ' ' HG2' ' A' ' 84' ' ' LYS . 31.6 m -118.86 142.72 47.48 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.751 0.31 . . . . 0.0 111.81 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -137.02 132.51 34.35 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.794 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.745 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 4.0 ttt -130.97 153.65 48.98 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.998 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.443 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 106.94 58.21 0.6 Allowed Glycine 0 C--N 1.338 0.674 0 C-N-CA 119.844 -1.17 . . . . 0.0 112.581 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.593 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.3 tt0 -103.21 116.04 31.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.039 0.447 . . . . 0.0 110.983 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 177.88 69.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.418 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.437 HG22 HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -72.86 127.86 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.287 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.2 140.52 39.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.5 104.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.274 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.11 30.24 55.48 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.664 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -79.17 115.98 19.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 61.18 113.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -108.65 129.17 55.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -158.02 -176.22 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -89.63 127.54 35.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.61 144.0 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.5 m -70.04 109.41 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.398 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -55.61 -20.9 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.791 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -141.16 125.33 17.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.934 0.397 . . . . 0.0 111.909 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.42 ' CG2' ' CD1' ' A' ' 138' ' ' LEU . 7.3 p -98.79 107.91 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.258 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 137' ' ' ILE . 94.0 m -116.13 129.84 56.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 35.6 p90 -69.53 69.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.532 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -59.32 -43.79 92.66 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.689 -178.5 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -64.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.633 0.254 . . . . 0.0 110.477 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 135' ' ' ARG . 1.4 mtt 44.81 48.98 9.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.066 0.46 . . . . 0.0 110.671 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -128.59 146.26 50.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.588 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' A' ' 26' ' ' PHE . 2.6 pt -111.18 112.94 42.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.022 0.439 . . . . 0.0 111.488 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.76 151.37 27.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.817 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 2.0 p30 -110.78 121.68 45.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.275 0.56 . . . . 0.0 112.318 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 131' ' ' LEU . 18.0 tt0 -125.24 138.3 54.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.81 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 59.61 19.62 8.2 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.119 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 85.26 0.61 88.54 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -105.62 145.67 30.7 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.27 143.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.677 0.275 . . . . 0.0 110.468 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -133.25 137.07 45.93 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.027 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -110.79 138.9 46.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.668 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -134.95 120.13 18.85 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.658 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 25.1 t -130.07 114.77 30.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.857 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.731 HG12 ' HA3' ' A' ' 14' ' ' GLY . 1.0 OUTLIER -97.96 135.55 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-O 121.443 0.64 . . . . 0.0 110.071 177.671 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 5.3 mt -123.29 152.8 41.03 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.497 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.21 142.37 33.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.387 0.613 . . . . 0.0 112.075 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.37 -1.287 . . . . 0.0 112.5 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mtt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.794 0.33 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -140.25 -42.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.712 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . 86.13 -11.01 63.97 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.906 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -142.27 139.66 31.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 117.166 0.483 . . . . 0.0 110.766 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -148.08 153.56 39.06 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.851 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -110.01 147.32 33.74 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.632 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -120.44 144.74 47.79 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -178.094 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 31.84 27.17 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.836 ' HB ' ' CB ' ' A' ' 13' ' ' ALA . 8.0 p -106.38 150.56 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 C-N-CA 119.896 -0.721 . . . . 0.0 112.676 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.458 ' H ' HG21 ' A' ' 9' ' ' VAL . 6.5 m -58.44 -36.9 74.38 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.259 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -159.72 -43.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.499 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -125.94 119.98 29.18 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -179.697 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.836 ' CB ' ' HB ' ' A' ' 9' ' ' VAL . . . -150.51 165.97 31.62 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.506 -1.224 . . . . 0.0 110.487 176.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.93 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -43.51 131.56 6.05 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 119.629 -1.272 . . . . 0.0 110.027 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 135' ' ' ARG . 1.3 m-85 -105.29 152.08 23.34 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.691 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.484 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -109.36 124.16 50.51 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.712 ' HA ' ' O ' ' A' ' 3' ' ' GLY . . . -121.0 163.69 17.9 Favored 'General case' 0 CA--C 1.491 -1.326 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.378 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.443 ' CD2' ' CG ' ' A' ' 133' ' ' LYS . 7.5 m-85 -134.31 154.39 51.34 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.341 -177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' HA3' HG12 ' A' ' 132' ' ' ILE . . . -114.64 -141.72 7.68 Favored Glycine 0 CA--C 1.487 -1.695 0 CA-C-O 122.449 1.027 . . . . 0.0 113.632 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 175.12 -29.23 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 112.716 -1.742 . . . . 0.0 108.882 -177.621 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 7.8 t70 -150.37 33.04 0.64 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.452 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER 74.49 -58.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.957 -179.216 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 3.3 mt-10 -58.12 -31.17 66.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.04 0.447 . . . . 0.0 109.978 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HG2' ' HB3' ' A' ' 20' ' ' HIS . 3.4 tp10 -64.79 -47.36 78.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.395 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 22' ' ' LEU . 9.3 p -66.57 -38.88 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' A' ' 61' ' ' LEU . 21.8 m-85 -65.82 -43.72 87.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.825 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -55.21 -38.71 68.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.356 179.401 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -70.2 -26.96 64.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.21 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.618 ' CB ' ' CE2' ' A' ' 65' ' ' TRP . . . -64.39 -35.14 79.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.568 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' CB ' ' CD1' ' A' ' 83' ' ' PHE . . . -73.3 -22.56 60.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.896 0.379 . . . . 0.0 110.765 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD22 ' CE2' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -73.88 -32.51 63.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.613 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' A' ' 4' ' ' PHE . . . -54.03 -52.28 61.33 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.11 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.686 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -71.92 -39.48 69.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -53.38 -33.01 52.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.002 0.43 . . . . 0.0 110.475 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.0 -30.57 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.332 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.3 mmm -75.27 -33.34 61.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.534 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 39' ' ' ASP . 5.4 t 48.53 -174.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.625 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 38' ' ' THR . 35.8 t0 81.79 -15.09 0.74 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.943 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.702 ' HA ' ' HB2' ' A' ' 80' ' ' PHE . 1.0 OUTLIER -72.08 -21.72 61.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.144 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 t -69.06 -2.97 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.797 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -124.32 15.48 9.0 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.688 0.28 . . . . 0.0 111.38 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.55 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 59.5 t -119.02 135.04 60.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.062 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 4.1 mt-10 -78.87 -80.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.603 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 175.13 104.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.544 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.448 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -87.47 -56.33 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.79 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.807 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.3 mm-40 -131.17 142.12 50.17 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 101' ' ' MET . 25.6 tt0 -120.36 122.47 40.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.951 0.405 . . . . 0.0 111.192 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -122.38 144.53 48.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.492 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -102.54 142.03 34.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.04 0.448 . . . . 0.0 110.95 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.47 146.87 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.576 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.44 143.94 51.01 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -139.91 146.12 25.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.014 -178.736 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.41 114.08 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.258 0.551 . . . . 0.0 110.632 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 41.5 t -121.02 164.29 16.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.784 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -152.4 54.0 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 111.046 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.9 t0 -178.86 10.79 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 63.92 -69.88 0.08 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.705 0.288 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 57' ' ' ASP . 29.5 m -54.43 -43.25 62.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.765 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.1 t -63.81 -34.54 78.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.252 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.494 ' CD2' ' CE2' ' A' ' 26' ' ' PHE . 1.9 tt -53.93 -34.66 60.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.745 ' O ' ' HE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -64.67 -49.38 71.22 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.492 178.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -54.22 -34.69 61.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.27 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -9.56 59.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.745 ' HE3' ' O ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -73.04 -54.42 8.6 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.449 -179.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.733 ' HG ' ' CZ2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -73.85 -43.81 57.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.769 -178.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -33.05 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.143 0.497 . . . . 0.0 109.728 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.2 78.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.65 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' HA ' ' CG2' ' A' ' 72' ' ' ILE . 8.1 mp -72.03 -32.14 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.482 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -52.61 53.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.477 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -50.4 32.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.563 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.445 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 2.7 tt -53.74 -34.33 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.897 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -53.02 30.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.076 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -73.63 -33.63 64.62 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 120.775 0.322 . . . . 0.0 110.139 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -18.84 64.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 78' ' ' ILE . 3.4 pt-20 -163.67 73.11 0.29 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.162 178.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -46.36 93.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.439 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 76' ' ' GLU . 21.2 pt -112.33 124.51 69.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.621 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.423 ' CD2' HG13 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -73.46 -41.18 63.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.014 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.702 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 1.3 t80 -119.46 141.8 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.759 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' ' 101' ' ' MET . 1.7 t -154.32 130.4 10.3 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.534 -0.467 . . . . 0.0 112.195 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -86.22 136.96 32.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.469 ' CD1' ' CB ' ' A' ' 30' ' ' ALA . 5.8 m-85 -105.47 120.75 42.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.98 0.895 . . . . 0.0 113.153 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.517 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -134.23 114.69 13.31 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 176.607 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -112.97 148.81 15.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.59 0.71 . . . . 0.0 112.498 -178.026 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.62 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.7 tttm -130.35 132.81 46.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.93 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.0 mt -128.5 129.47 68.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.535 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.88 122.01 23.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.949 0.404 . . . . 0.0 111.787 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' HG2' HD12 ' A' ' 94' ' ' LEU . 6.9 mt-10 -105.48 114.21 28.25 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.173 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -131.13 -169.46 2.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.88 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.42 11.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.592 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -109.51 -18.25 13.56 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.836 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.401 ' O ' HD23 ' A' ' 94' ' ' LEU . . . 125.49 -106.16 0.87 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.552 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 3.0 mm? -135.73 133.15 37.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.841 0.353 . . . . 0.0 111.639 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.55 142.43 51.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.263 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 1.6 tt -127.75 129.32 46.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.777 0.322 . . . . 0.0 111.228 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.62 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -124.75 119.26 28.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.844 0.354 . . . . 0.0 110.11 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.517 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.94 148.51 17.05 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.332 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 m -119.13 142.54 47.84 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 111.911 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 48' ' ' GLU . . . -140.75 133.29 28.6 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.472 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.807 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 7.5 ttt -124.58 146.0 49.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.54 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.448 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 110.61 80.97 1.17 Allowed Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.108 -1.044 . . . . 0.0 111.392 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.63 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -116.06 161.96 18.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.803 0.335 . . . . 0.0 111.589 -178.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 103' ' ' GLU . 3.9 tt0 92.81 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.179 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.423 HG13 ' CD2' ' A' ' 79' ' ' LEU . 7.3 tt -72.69 137.93 22.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.224 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -97.65 138.82 34.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.675 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.79 127.57 32.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.84 38.34 73.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.488 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.412 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 9.1 t-160 -83.53 102.6 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.777 0.323 . . . . 0.0 111.071 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 61.18 124.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.044 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -108.68 121.03 44.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.15 -179.39 6.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.522 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -89.75 127.46 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.717 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.66 143.79 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.961 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.2 114.7 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.406 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -85.8 19.44 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.559 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -161.22 90.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.724 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.26 109.09 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.823 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 137' ' ' ILE . 2.9 m -113.07 129.9 56.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.838 -178.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 28.3 p90 -74.1 65.44 1.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 178.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.683 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 1.3 t-80 -62.03 -44.08 97.46 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.67 -62.33 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.743 0.306 . . . . 0.0 110.427 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.493 ' HA ' HG21 ' A' ' 136' ' ' VAL . 25.0 mtt 47.7 51.83 13.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.23 0.538 . . . . 0.0 110.389 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.58 162.78 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.658 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -116.97 119.07 60.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 111.605 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.53 136.46 43.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.772 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.9 OUTLIER -98.69 122.4 41.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.06 0.457 . . . . 0.0 111.828 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -124.68 119.65 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.473 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 59.06 22.19 10.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.24 0.79 73.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.052 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.1 OUTLIER -100.24 145.3 28.23 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.463 HG12 ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.97 142.24 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.131 0.491 . . . . 0.0 111.814 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -133.96 137.61 44.94 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.923 178.119 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 62' ' ' LEU . . . -110.21 137.93 47.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.575 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -140.07 121.57 15.15 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -179.028 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.93 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 96.7 t -130.46 115.11 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.425 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.763 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 1.9 mp -82.65 133.07 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-O 121.234 0.54 . . . . 0.0 110.501 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.454 HD23 HG11 ' A' ' 136' ' ' VAL . 1.2 mt -125.04 151.87 45.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.063 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.81 112.6 20.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.294 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.431 ' CD2' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.382 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tpt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.854 0.359 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -94.91 -29.68 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.475 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . 90.24 -6.82 82.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.877 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 2.8 p90 -107.05 140.01 40.55 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.474 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.95 134.51 20.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.898 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.462 ' CB ' ' CD1' ' A' ' 15' ' ' PHE . 9.8 p90 -114.44 147.55 39.1 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 14' ' ' GLY . 1.3 p90 -108.81 140.03 42.82 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.393 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.34 103.96 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.614 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -106.51 150.82 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.237 177.46 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.628 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 92.6 m -88.33 108.93 19.59 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.699 -0.401 . . . . 0.0 109.958 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.628 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 105.39 -44.23 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.32 0.581 . . . . 0.0 109.774 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.614 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.67 168.39 12.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.335 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 138' ' ' LEU . . . -149.0 120.24 7.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.526 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.685 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -115.06 127.84 7.84 Favored Glycine 0 CA--C 1.508 -0.359 0 C-N-CA 120.117 -1.04 . . . . 0.0 110.855 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -106.41 147.27 29.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.402 0.62 . . . . 0.0 111.387 -178.312 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.46 ' CD1' ' HB3' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -111.58 125.36 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.673 179.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -126.43 156.99 39.74 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.365 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.617 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -126.15 159.6 32.47 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.329 -178.244 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' HA3' HD12 ' A' ' 132' ' ' ILE . . . -118.35 -162.57 12.29 Favored Glycine 0 CA--C 1.476 -2.368 0 CA-C-O 123.142 1.412 . . . . 0.0 113.912 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.514 ' H ' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -140.19 4.47 2.03 Favored 'General case' 0 N--CA 1.407 -2.583 0 CA-C-N 111.343 -2.429 . . . . 0.0 109.061 -179.071 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -176.67 34.7 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.548 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.558 ' O ' HG13 ' A' ' 25' ' ' VAL . 4.9 mp 67.69 -57.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.76 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 8.9 pm0 -62.45 -31.42 72.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.187 0.518 . . . . 0.0 109.973 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' HB2' ' H ' ' A' ' 20' ' ' HIS . 59.7 mm-40 -58.43 -43.94 88.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.398 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 22' ' ' LEU . 4.0 p -73.5 -38.5 52.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.377 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.414 ' CB ' HG21 ' A' ' 85' ' ' VAL . 7.1 m-85 -55.11 -42.9 73.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 0.0 110.45 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 6.3 mt-10 -57.51 -36.78 71.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.166 0.508 . . . . 0.0 109.736 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.45 -27.06 63.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.078 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.84 -42.01 64.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.408 ' CB ' ' CD1' ' A' ' 69' ' ' LEU . . . -90.88 -21.83 21.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.96 -37.12 48.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.47 -48.64 80.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.776 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.417 ' HE1' ' CD1' ' A' ' 34' ' ' PHE . 2.7 ptt? -71.95 -35.78 69.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD1' ' HE1' ' A' ' 33' ' ' MET . 2.9 m-85 -72.01 -36.4 69.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.56 -32.82 70.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.415 HG23 ' CE2' ' A' ' 15' ' ' PHE . 21.1 t -87.89 -31.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.993 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.9 mtp -78.69 -30.17 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.75 -168.81 2.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.6 98.39 5.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.481 ' HA ' ' HB2' ' A' ' 80' ' ' PHE . 1.7 p -71.98 -21.68 61.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.68 -22.46 1.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.733 0.301 . . . . 0.0 111.081 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mp -105.82 38.75 1.92 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.616 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.1 p -91.27 114.71 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.281 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 -7.01 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.302 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.73 103.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.94 -19.83 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.632 ' O ' ' HA ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -148.93 169.52 20.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.958 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -143.24 124.06 14.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.473 ' O ' ' HA ' ' A' ' 99' ' ' THR . 4.8 mmm180 -121.0 152.53 38.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.447 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -123.78 142.82 50.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.919 0.39 . . . . 0.0 111.168 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 97' ' ' THR . 21.5 t -133.05 148.8 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.678 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.86 142.2 51.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -139.81 152.2 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 17.4 p -121.64 114.27 20.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.45 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 94' ' ' LEU . 30.2 t -120.84 163.92 17.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.337 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -151.93 40.1 0.63 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.772 0.32 . . . . 0.0 111.323 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' VAL . 0.6 OUTLIER -175.95 19.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 62.94 -69.35 0.07 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.775 0.321 . . . . 0.0 111.067 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 57' ' ' ASP . 11.9 p -54.19 -45.08 66.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -38.31 75.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.488 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -57.08 -36.57 70.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.984 0.421 . . . . 0.0 109.954 179.331 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -71.97 -43.64 64.84 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.073 179.069 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.4 -35.03 74.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.682 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.91 -24.39 23.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.36 -53.08 61.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 111.003 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' CD1' ' CG1' ' A' ' 136' ' ' VAL . 0.5 OUTLIER -72.91 -41.21 64.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -179.669 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -51.1 -33.14 24.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.132 0.492 . . . . 0.0 109.842 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.67 -35.89 77.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.779 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.444 ' HA ' ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -71.17 -31.76 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.52 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -50.28 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.699 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -52.18 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.872 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 tp -54.27 -33.84 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.718 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.8 t60 -49.97 -52.55 32.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.139 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.14 -30.25 63.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 0.0 110.286 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.1 m -64.17 -19.1 65.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 78' ' ' ILE . 1.0 OUTLIER -166.05 70.21 0.13 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.713 178.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.643 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -49.4 92.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.565 179.644 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 76' ' ' GLU . 2.5 pt -112.04 124.16 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.29 0.567 . . . . 0.0 111.13 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.558 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.481 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 30.6 p90 -122.17 141.94 50.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 111.447 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -154.25 161.95 41.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.9 144.55 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.414 ' CE1' HD13 ' A' ' 69' ' ' LEU . 51.1 m-85 -124.94 123.36 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.311 0.577 . . . . 0.0 112.113 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.429 ' HG2' ' HB ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -126.7 115.85 20.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.981 178.641 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 23' ' ' GLU . 1.2 m -110.14 149.71 13.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.431 0.634 . . . . 0.0 111.24 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 97' ' ' THR . 5.1 tttp -127.79 119.13 25.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.672 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.499 HG22 HD13 ' A' ' 87' ' ' ILE . 6.5 mt -109.8 124.29 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.013 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.3 123.8 26.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.727 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -77.22 114.58 16.18 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.566 ' C ' ' H ' ' A' ' 92' ' ' ASP . 6.7 mmtp -75.12 -169.56 0.97 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.761 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.65 5.75 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER 171.23 -33.27 0.0 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.812 0.339 . . . . 0.0 110.357 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.65 -151.91 27.32 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.756 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -135.99 133.89 37.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.852 0.358 . . . . 0.0 111.8 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.554 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 1.0 OUTLIER -127.26 120.65 29.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.942 178.835 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.581 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 9.8 tt -109.55 139.93 43.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.496 . . . . 0.0 111.802 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -123.11 119.26 29.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.782 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 85' ' ' VAL . . . -118.6 148.48 18.42 Favored Glycine 0 C--N 1.32 -0.314 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.37 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 3.3 m -129.59 142.44 50.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.561 0.22 . . . . 0.0 111.242 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.93 131.66 35.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.066 0.46 . . . . 0.0 111.414 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.632 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 4.1 ptt? -131.82 155.74 47.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.599 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.02 34.75 7.45 Favored Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.357 -0.925 . . . . 0.0 111.235 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.538 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -94.5 116.27 28.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.29 -0.455 . . . . 0.0 111.302 -178.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -179.78 98.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.367 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.643 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 7.3 tp -72.54 130.91 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.184 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.01 156.24 22.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -30.3 64.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -115.77 58.46 0.46 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.421 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -59.29 141.91 53.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 0.0 110.771 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.53 120.72 8.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -108.78 102.62 11.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -95.69 -72.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.1 159.15 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.758 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.73 103.7 16.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.401 . . . . 0.0 111.097 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.45 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . 24.0 t -111.46 109.74 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.668 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -65.27 -26.87 68.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.347 -179.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 171.09 -172.63 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.925 0.393 . . . . 0.0 111.36 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.521 ' HA ' HD11 ' A' ' 138' ' ' LEU . 4.1 m -118.35 113.22 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.607 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.7 m -115.09 104.54 11.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 111.561 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -37.81 101.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.534 179.3 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.655 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 20.1 t-160 -55.13 -37.43 66.9 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 122.447 1.118 . . . . 0.0 108.634 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.61 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 112.922 -1.945 . . . . 0.0 107.845 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.408 ' HG3' ' CB ' ' A' ' 120' ' ' PHE . 3.1 mtm 54.13 56.0 7.56 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.176 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -117.52 134.39 54.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.131 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 9.6 tt -96.29 112.27 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.009 0.433 . . . . 0.0 110.928 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.63 136.38 44.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.195 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.587 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 13.5 p-10 -106.73 121.84 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.061 0.458 . . . . 0.0 111.274 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.85 127.19 46.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.55 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 57.75 21.44 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 111.084 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 90.98 0.51 74.45 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.694 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.8 OUTLIER -98.61 145.69 26.59 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -100.56 143.23 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 CA-C-O 120.802 0.334 . . . . 0.0 111.867 -179.347 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -134.68 136.13 42.54 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.062 177.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -125.38 138.46 54.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.585 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.46 ' HB3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -116.77 119.91 36.9 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.685 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 23.2 t -130.44 116.5 35.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.655 ' N ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -85.28 140.41 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.152 0.981 . . . . 0.0 110.523 177.68 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -128.64 151.88 49.0 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.983 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -81.38 112.1 18.35 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.298 -177.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 115' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.657 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 mtm . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.953 0.406 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -133.7 -65.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.971 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.87 10.42 85.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.688 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.552 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 14.0 p90 -141.9 139.56 32.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.76 0.314 . . . . 0.0 110.732 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -147.42 130.53 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.652 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 12.4 p90 -111.75 147.14 36.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.937 0.399 . . . . 0.0 111.634 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.0 140.22 42.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.111 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.98 107.37 5.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -106.32 151.08 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.908 178.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.627 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 91.3 m -90.23 104.94 17.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.203 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 109.7 -46.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.591 0.71 . . . . 0.0 109.581 -178.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.584 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -119.37 169.6 9.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.87 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.17 121.37 10.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.445 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.945 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -117.77 137.06 12.9 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.086 -1.054 . . . . 0.0 112.946 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -106.22 155.39 19.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.587 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.552 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -111.31 140.81 45.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.28 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.647 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.76 136.82 54.29 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.541 0.686 . . . . 0.0 110.036 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.445 ' CE1' ' HG2' ' A' ' 133' ' ' LYS . 47.1 m-85 -112.97 152.27 29.59 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.942 -177.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.485 ' C ' ' CD2' ' A' ' 20' ' ' HIS . . . -129.77 -172.48 13.16 Favored Glycine 0 CA--C 1.473 -2.591 0 CA-C-O 122.918 1.288 . . . . 0.0 113.625 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -147.77 0.07 0.64 Allowed 'General case' 0 N--CA 1.408 -2.572 0 CA-C-N 111.809 -2.195 . . . . 0.0 110.47 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 4.5 t70 -178.73 34.36 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.769 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 2.1 mt 72.5 -57.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.001 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.0 mt-10 -57.51 -31.33 65.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.365 0.602 . . . . 0.0 110.386 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' HG3' ' ND1' ' A' ' 20' ' ' HIS . 1.8 mm-40 -66.58 -47.28 73.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.043 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG1' ' HB ' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -62.71 -52.24 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.669 -179.366 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.457 ' HB2' HG21 ' A' ' 85' ' ' VAL . 50.5 m-85 -49.86 -37.58 31.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.237 0.541 . . . . 0.0 110.173 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -69.86 -40.89 75.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.665 179.004 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.404 ' HB3' ' CB ' ' A' ' 17' ' ' ALA . 11.9 t-20 -70.65 -27.34 63.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.103 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.77 -49.41 65.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.385 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.02 -27.76 61.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.908 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HA ' ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -54.95 -31.34 60.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.403 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' CB ' ' HB2' ' A' ' 15' ' ' PHE . . . -68.72 -53.51 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 0.0 111.356 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.454 ' CE ' ' CE1' ' A' ' 73' ' ' HIS . 22.4 ptm -72.16 -41.49 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.131 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -66.55 -33.14 75.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.582 0.229 . . . . 0.0 111.552 -178.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.489 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -65.62 -30.83 71.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 m -99.74 -36.62 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.456 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.6 mmt -54.49 -22.84 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.393 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 176.8 170.21 0.5 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.881 0.372 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -96.85 87.74 4.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.615 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.473 ' CG2' ' CE2' ' A' ' 34' ' ' PHE . 1.7 p -71.97 -21.56 61.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.428 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.535 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 1.2 m -62.22 76.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.74 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.535 ' HB3' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER 170.93 -8.39 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.744 179.327 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.516 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 16.7 t -116.72 134.91 58.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.809 0.338 . . . . 0.0 110.74 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -79.04 -81.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.468 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 178.47 101.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.983 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.68 -2.68 26.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.22 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.564 ' CB ' ' CB ' ' A' ' 103' ' ' GLU . 9.6 tp10 -149.49 168.47 23.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -178.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.05 141.3 31.27 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.976 0.417 . . . . 0.0 111.214 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.3 mmm180 -141.33 141.79 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.201 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -118.99 142.95 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 0.0 111.258 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.7 t -132.21 143.72 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -125.75 139.38 53.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.03 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.44 HG22 HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -139.72 151.94 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.079 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 m -122.09 114.44 20.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.782 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.499 ' HB3' ' HG ' ' A' ' 94' ' ' LEU . 15.1 t -120.79 163.88 17.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.321 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -141.58 29.94 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.636 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' VAL . 11.2 t70 -175.45 26.43 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 63.84 -67.39 0.1 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.834 0.35 . . . . 0.0 111.538 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' ASP . 25.0 m -54.04 -42.11 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.759 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -40.21 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.884 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 55' ' ' SER . 0.3 OUTLIER -54.09 -52.88 59.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.799 0.333 . . . . 0.0 110.106 179.349 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.591 HD13 ' HG2' ' A' ' 123' ' ' MET . 0.1 OUTLIER -52.58 -41.71 63.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.048 0.452 . . . . 0.0 110.022 179.104 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -55.7 -35.1 65.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.374 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -97.3 -26.29 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.307 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.444 ' NE1' ' O ' ' A' ' 26' ' ' PHE . 24.7 t-105 -59.15 -53.05 62.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.952 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -71.53 -45.05 63.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.33 -33.22 28.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.184 0.516 . . . . 0.0 109.61 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.57 -37.59 82.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.726 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.454 ' HA ' ' CG2' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -70.0 -31.93 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.565 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -50.97 71.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.595 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -52.14 20.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.867 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -53.91 -34.56 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.763 -179.435 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.454 ' CE1' ' CE ' ' A' ' 33' ' ' MET . 0.2 OUTLIER -50.33 -52.8 33.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.118 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -29.32 62.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.319 . . . . 0.0 110.318 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -63.66 -17.66 63.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.7 65.25 0.06 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.067 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.631 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -55.24 94.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.038 179.14 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.6 pt -111.77 144.21 20.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.638 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -45.13 94.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.135 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.516 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -119.78 144.77 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.166 0.508 . . . . 0.0 111.693 -178.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.4 t -154.32 130.51 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.894 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -91.04 150.61 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -123.67 122.52 38.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.721 0.772 . . . . 0.0 112.403 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.472 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.54 115.27 15.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 177.68 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.507 HG11 ' N ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -110.42 148.89 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.957 0.884 . . . . 0.0 112.749 -177.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 97' ' ' THR . 4.4 tptm -130.38 139.61 50.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.332 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.493 HG13 ' HG3' ' A' ' 23' ' ' GLU . 96.2 mt -123.97 124.04 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.315 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -133.42 122.8 24.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.562 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -98.09 114.09 26.17 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.416 0.627 . . . . 0.0 109.706 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -120.67 -169.42 1.81 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.43 -179.443 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.12 8.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.773 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -121.21 39.71 3.76 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.475 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.36 -104.0 2.0 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.224 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.499 ' HG ' ' HB3' ' A' ' 55' ' ' SER . 0.1 OUTLIER -136.44 141.22 43.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.6 0.238 . . . . 0.0 110.52 179.4 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' ' 96' ' ' LEU . 6.0 t60 -127.58 143.88 51.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 95' ' ' HIS . 9.4 tt -121.41 138.46 54.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.656 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.19 119.68 30.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.417 179.373 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -121.14 148.38 17.45 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.349 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -123.84 142.8 50.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.801 0.334 . . . . 0.0 111.54 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 49' ' ' ARG . . . -134.27 132.76 40.01 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.078 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.514 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.53 154.96 47.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.037 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' ' 80' ' ' PHE . . . 104.88 60.52 0.65 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.859 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.564 ' CB ' ' CB ' ' A' ' 47' ' ' GLU . 5.4 tt0 -94.91 115.67 27.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.657 0.265 . . . . 0.0 110.874 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 1.3 tt0 168.41 98.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.631 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 10.9 tp -86.89 127.63 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -92.93 157.16 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.119 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.15 -54.97 40.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.12 57.38 3.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.315 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 106.72 0.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.949 0.405 . . . . 0.0 111.046 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -58.44 121.46 10.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -108.76 132.26 54.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.24 -76.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.02 159.06 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -116.78 110.92 19.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.418 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.826 ' HA ' ' OXT' ' A' ' 140' ' ' LEU . 12.7 p -111.13 112.25 39.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.351 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 140' ' ' LEU . 12.5 ptmt -63.47 -24.01 67.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.782 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.28 170.18 3.12 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 8.0 p -117.89 108.88 25.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.591 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 121' ' ' HIS . 38.3 m -115.1 130.65 56.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.443 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 119' ' ' THR . 7.8 p90 -28.88 86.04 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.557 0.694 . . . . 0.0 111.336 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.57 ' CG ' ' H ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -77.19 -44.99 28.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.366 -178.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.494 ' HB3' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 171.56 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.591 ' HG2' HD13 ' A' ' 62' ' ' LEU . 6.5 ttm 43.8 63.14 1.68 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.728 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -141.48 143.52 33.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.104 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.458 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 5.8 pt -96.46 113.44 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 111.466 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.36 136.38 43.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.961 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.502 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 2.0 p30 -101.39 122.5 43.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.1 0.476 . . . . 0.0 111.915 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -124.55 127.26 47.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.463 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 t0 59.27 20.32 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.985 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.07 0.64 73.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.053 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.502 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 13.6 mt -100.26 145.18 28.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.439 ' CG1' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.9 136.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.943 0.401 . . . . 0.0 111.925 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -134.31 137.07 43.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.198 178.15 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -113.48 148.98 34.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.729 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.494 ' HD2' ' HB3' ' A' ' 122' ' ' MET . 0.0 OUTLIER -128.38 120.32 26.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.945 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 15.6 t -130.97 114.06 26.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.499 176.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.736 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -106.83 115.57 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.43 1.492 . . . . 0.0 109.567 177.536 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.496 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . 1.1 mt -105.32 152.89 22.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.161 0.505 . . . . 0.0 112.204 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.85 112.86 19.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.0 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.826 ' OXT' ' HA ' ' A' ' 115' ' ' VAL . 9.1 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.631 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 ttp . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.846 0.355 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -79.22 -22.59 44.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.426 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . 95.31 11.75 55.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.709 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -104.48 140.01 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.372 . . . . 0.0 111.048 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -146.49 144.37 29.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.236 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.456 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 7.3 p90 -114.37 147.6 38.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.98 0.419 . . . . 0.0 111.958 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.434 ' CE1' ' HA3' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -108.88 140.11 42.81 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.623 178.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -77.84 100.03 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.6 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 1.3 t -106.67 151.04 8.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.733 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.626 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.7 m -94.74 106.25 18.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.096 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.626 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 110.52 -43.59 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.433 0.635 . . . . 0.0 109.446 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.6 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.86 168.64 12.49 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.211 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 138' ' ' LEU . . . -147.96 120.09 8.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.427 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.704 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -116.51 136.31 12.72 Favored Glycine 0 CA--C 1.507 -0.419 0 C-N-CA 120.096 -1.049 . . . . 0.0 111.353 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -105.94 147.99 28.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.094 0.473 . . . . 0.0 110.589 -179.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.474 ' HA ' ' O ' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -120.25 125.3 47.76 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.975 179.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -123.19 149.69 44.32 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.151 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.566 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -113.16 146.83 38.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.769 -178.133 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.464 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -108.31 -166.96 21.21 Favored Glycine 0 CA--C 1.472 -2.611 0 CA-C-O 123.212 1.451 . . . . 0.0 114.155 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.483 ' CG ' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -145.76 6.19 1.05 Allowed 'General case' 0 N--CA 1.406 -2.633 0 CA-C-N 111.218 -2.491 . . . . 0.0 109.481 -179.052 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -177.46 27.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.293 -179.757 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 4.8 mt 74.48 -55.83 0.65 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.642 0.377 . . . . 0.0 111.455 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 12.2 pm0 -62.81 -31.39 72.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.368 0.604 . . . . 0.0 109.513 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG3' ' CG ' ' A' ' 20' ' ' HIS . 3.5 mm-40 -57.43 -40.98 79.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.787 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -72.54 -44.59 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.276 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.509 ' HB2' HG22 ' A' ' 85' ' ' VAL . 11.5 m-85 -49.96 -45.68 51.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.914 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 89.2 mt-10 -54.92 -44.88 74.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.64 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -70.15 -27.45 64.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.181 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.98 -25.21 11.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.353 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.74 -27.22 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -42.27 87.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . . . -52.33 -51.3 59.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.409 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.2 ttp -69.89 -47.49 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.463 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -60.62 -33.49 72.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.874 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.64 -39.03 86.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.721 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -85.89 -41.47 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -23.88 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 t 171.57 148.47 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.738 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -72.94 87.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.734 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 80' ' ' PHE . 18.6 p -68.89 -27.91 66.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -51.91 -20.01 2.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.656 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -8.48 55.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.657 0.265 . . . . 0.0 111.406 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 40.9 t -118.84 135.12 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.465 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 6.0 mm-40 -79.81 -80.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.698 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 174.11 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.535 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -97.69 -29.79 13.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.07 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.5 mm-40 -134.51 170.18 16.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.352 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -142.28 127.84 19.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.886 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.93 150.16 52.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.255 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -115.68 142.95 46.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.112 0.482 . . . . 0.0 111.298 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.2 t -125.95 149.09 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.457 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.24 143.52 50.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.191 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.435 HD13 ' CE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -139.53 152.05 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.918 0.39 . . . . 0.0 111.616 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -119.46 114.53 22.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.328 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.8 t -120.58 163.51 17.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.176 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG2' ' HA2' ' A' ' 93' ' ' GLY . 16.8 mt-10 -152.74 23.55 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.759 0.314 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.8 t0 -164.11 16.29 0.06 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.995 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 64.86 -65.79 0.14 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 111.326 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' ASP . 7.4 p -54.21 -47.13 68.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.867 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -57.45 -34.88 69.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.421 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.479 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 2.7 tm? -54.01 -51.24 64.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 110.652 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 123' ' ' MET . 0.1 OUTLIER -57.17 -37.91 72.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.121 0.486 . . . . 0.0 110.348 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -60.5 -35.1 75.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.208 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -98.84 -22.15 15.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.599 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.435 ' CE3' HD13 ' A' ' 53' ' ' ILE . 6.5 t-105 -62.85 -53.42 54.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -42.44 62.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -34.14 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.141 0.496 . . . . 0.0 109.725 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.16 -45.54 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.903 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' O ' ' CG ' ' A' ' 73' ' ' HIS . 2.9 mm? -72.18 -32.02 66.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.904 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -52.33 61.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.735 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.401 ' O ' ' CG2' ' A' ' 75' ' ' THR . 1.0 OUTLIER -57.16 -52.45 65.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.677 -179.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.429 ' HB ' ' CD2' ' A' ' 77' ' ' PHE . 2.1 pp -64.34 -44.32 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 111.768 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.463 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 36.1 m170 -52.36 -48.31 65.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.944 0.402 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -29.1 62.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.412 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' GLU . 68.8 p -64.14 -2.24 1.96 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.688 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 75' ' ' THR . 1.5 tp10 80.18 43.8 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.203 0.525 . . . . 0.0 110.213 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.429 ' CD2' ' HB ' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -84.73 -77.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.867 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.507 ' CG2' ' HA ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -131.65 152.45 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.817 -178.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 tp -88.38 -39.85 13.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.101 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.513 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -119.83 144.49 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.855 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.45 130.48 10.24 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.204 -0.599 . . . . 0.0 112.185 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -85.88 128.53 34.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.631 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -105.23 122.66 46.4 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.554 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.1 114.71 14.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.231 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -111.9 150.07 14.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.497 0.665 . . . . 0.0 111.84 -177.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.651 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.4 OUTLIER -126.59 118.99 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.682 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.413 HD12 ' HB2' ' A' ' 22' ' ' LEU . 4.5 mt -107.63 144.64 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.389 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 12.1 m-20 -131.93 121.23 23.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.021 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.75 113.04 26.37 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.807 0.813 . . . . 0.0 111.018 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.819 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -132.28 -167.95 1.97 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.323 -1.308 . . . . 0.0 108.676 179.139 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 90' ' ' LYS . 70.4 m-20 -4.13 -45.74 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.819 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER 167.31 -36.66 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.795 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.422 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -86.87 100.13 2.53 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 88' ' ' ASP . 0.3 OUTLIER -94.22 127.48 40.1 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.186 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -100.36 143.73 30.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.136 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.544 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 10.4 tt -110.2 141.66 42.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.651 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -119.34 119.21 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.39 178.431 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.554 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -122.65 148.82 16.93 Favored Glycine 0 C--N 1.32 -0.338 0 C-N-CA 120.926 -0.654 . . . . 0.0 114.104 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -118.79 142.7 47.47 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.463 0.305 . . . . 0.0 111.43 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 82' ' ' LYS . . . -135.21 132.7 38.22 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.066 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.558 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 5.4 ptm -130.64 155.36 46.69 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.062 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.511 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 97.35 55.26 1.19 Allowed Glycine 0 C--N 1.335 0.492 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.649 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.1 tt0 -92.77 115.93 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.055 0.455 . . . . 0.0 111.486 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 173.61 65.53 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.535 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.424 HG21 HD11 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -72.71 135.9 26.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.114 -179.821 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 109' ' ' HIS . 0.0 OUTLIER -122.44 142.33 50.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.573 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.09 106.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.29 38.55 95.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.216 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.422 ' CE1' ' HD2' ' A' ' 106' ' ' LYS . 1.1 t-160 -76.48 108.11 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.242 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 60.75 115.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -108.72 137.51 46.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 -67.17 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.749 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -128.32 145.17 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -120.97 103.68 9.23 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.329 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.3 m -97.41 122.27 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.784 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -8.68 32.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -179.75 167.17 1.36 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.959 0.409 . . . . 0.0 111.96 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.43 ' CG1' ' CD1' ' A' ' 138' ' ' LEU . 70.3 t -118.21 108.75 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.592 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 137' ' ' ILE . 11.6 m -115.53 104.36 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.323 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -42.48 110.91 0.2 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.634 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 2.5 t60 -55.23 -42.58 73.61 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.85 1.31 . . . . 0.0 108.159 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.428 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 31.6 tpp -165.64 -35.39 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 112.141 -2.3 . . . . 0.0 107.264 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.442 ' O ' ' HB3' ' A' ' 62' ' ' LEU . 12.2 mtt 51.55 70.96 0.48 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.819 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -157.99 146.64 19.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.316 -179.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.571 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 75.4 mt -96.5 114.06 32.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.23 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -103.15 136.41 42.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.512 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.7 OUTLIER -96.59 121.8 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.613 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -125.24 126.82 45.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.065 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 t70 60.03 20.52 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 87.99 0.51 83.24 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -97.53 146.24 25.45 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.619 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -99.96 135.81 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.214 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 24.4 mtpp -134.31 136.66 43.65 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.914 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -117.43 144.09 45.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.225 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.428 ' HD2' ' CB ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -130.26 121.74 26.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -178.424 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.704 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 18.6 t -130.09 116.26 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.634 ' N ' ' HB2' ' A' ' 121' ' ' HIS . 0.7 OUTLIER -85.7 141.55 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.8 1.24 . . . . 0.0 110.228 177.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 2.6 mm? -128.76 150.89 50.1 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.701 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -82.54 136.91 34.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.479 0.656 . . . . 0.0 112.057 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.922 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.9 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt 62.99 25.9 15.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.25 -10.73 69.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.166 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 15.0 p90 -142.02 139.6 32.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.956 0.378 . . . . 0.0 111.263 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -147.22 135.16 21.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.307 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.465 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 6.6 p90 -114.55 147.31 39.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 112.117 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.441 ' CZ ' ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -109.16 140.22 43.03 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.638 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -84.02 104.07 13.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.558 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 1.0 OUTLIER -106.45 150.89 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.608 177.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.63 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.1 m -88.03 110.86 20.93 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.63 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 104.73 -44.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.405 0.622 . . . . 0.0 109.329 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.558 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.88 168.25 13.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.916 179.542 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 138' ' ' LEU . . . -148.75 120.5 8.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.221 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.747 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -110.38 136.24 13.45 Favored Glycine 0 CA--C 1.505 -0.558 0 C-N-CA 119.677 -1.249 . . . . 0.0 111.582 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.465 ' CD2' ' HB3' ' A' ' 6' ' ' PHE . 2.4 m-85 -105.75 157.4 17.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.169 0.509 . . . . 0.0 110.604 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.474 ' N ' ' O ' ' A' ' 5' ' ' GLU . 28.8 m95 -111.44 131.59 55.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.698 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.703 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.37 149.2 42.23 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-O 121.3 0.571 . . . . 0.0 109.788 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -112.43 159.34 18.84 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.471 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.558 ' HA3' ' CG1' ' A' ' 132' ' ' ILE . . . -112.16 -174.42 19.54 Favored Glycine 0 CA--C 1.489 -1.537 0 CA-C-O 122.623 1.124 . . . . 0.0 114.652 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -150.62 1.75 0.45 Allowed 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 112.393 -1.903 . . . . 0.0 110.389 -178.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 0.7 OUTLIER 165.29 37.4 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.224 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 2.9 mm? 71.66 -54.96 0.67 Allowed 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.379 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 0.6 OUTLIER -54.86 -42.64 72.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.083 0.468 . . . . 0.0 110.121 179.187 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 1.9 tp10 -53.35 -47.6 69.24 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -62.56 -40.3 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.723 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 60.5 m-85 -54.48 -54.18 44.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.685 0.279 . . . . 0.0 111.727 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 83' ' ' PHE . 1.1 mm-40 -70.34 -32.86 70.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.767 0.317 . . . . 0.0 110.585 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -60.86 -28.28 68.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -45.98 77.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.726 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 83' ' ' PHE . . . -67.01 -27.65 67.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.72 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -56.71 18.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.223 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.25 -41.3 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.347 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.8 -48.66 44.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.291 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 4.7 m-85 -65.55 -42.33 91.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.49 -30.76 42.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.412 HG23 ' CZ ' ' A' ' 15' ' ' PHE . 21.6 t -95.51 -39.86 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.232 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -37.86 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 179.09 -172.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.17 146.78 43.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.421 ' CB ' ' HB3' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -58.12 -41.02 82.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.411 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.9 t 68.95 -62.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.562 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.87 34.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.628 0.252 . . . . 0.0 111.609 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.2 t -91.34 113.83 27.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 44.6 mm-40 -94.06 16.47 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.376 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HA ' ' CA ' ' A' ' 102' ' ' GLY . . . 79.25 75.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 110.816 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.36 -44.97 20.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.313 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.561 ' O ' ' HA ' ' A' ' 101' ' ' MET . 14.6 mm-40 -114.29 170.75 8.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.088 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.76 141.02 33.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.704 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.4 ' CZ ' ' CG2' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -137.4 122.99 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -106.26 142.83 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.742 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 97' ' ' THR . 23.8 t -130.43 146.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.75 133.65 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.44 HD13 ' CE3' ' A' ' 65' ' ' TRP . 0.3 OUTLIER -139.85 147.47 23.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.391 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.415 HG22 ' CD2' ' A' ' 95' ' ' HIS . 10.4 p -122.53 112.63 18.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.992 0.425 . . . . 0.0 110.839 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.481 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.58 163.86 19.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.655 178.167 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -140.45 56.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.462 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.8 t0 -179.47 22.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? 60.85 -74.32 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.754 0.312 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' ASP . 33.7 m -54.23 -41.81 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -41.22 75.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.159 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' A' ' 96' ' ' LEU . 15.3 tp -53.94 -35.27 61.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.779 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -72.58 -48.56 38.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.254 179.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -55.37 -39.0 69.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.317 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.92 -15.0 40.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.413 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.468 ' CE3' ' O ' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -72.88 -53.15 12.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.834 0.349 . . . . 0.0 111.235 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.43 ' CD1' ' CG1' ' A' ' 136' ' ' VAL . 0.6 OUTLIER -70.96 -42.48 69.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.112 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -33.28 20.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.183 0.516 . . . . 0.0 109.888 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -67.72 -38.87 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.639 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.8 -31.85 73.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.522 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -52.55 59.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.949 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -71.46 -44.07 65.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.4 ' CG2' ' CZ ' ' A' ' 49' ' ' ARG . 18.6 mt -59.48 -34.49 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.231 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -50.27 -52.95 32.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.197 -179.563 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.57 -32.49 64.17 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.805 0.336 . . . . 0.0 110.231 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.4 m -64.15 -18.68 64.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 78' ' ' ILE . 2.9 mt-10 -164.31 72.32 0.23 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.845 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -58.77 92.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.503 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 103' ' ' GLU . 1.1 pt -112.98 138.0 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 109' ' ' HIS . 88.4 mt -54.58 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 34' ' ' PHE . 9.9 t80 -126.28 155.39 42.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.416 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 101' ' ' MET . 2.0 t -154.21 163.51 40.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.436 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -80.12 138.27 36.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.054 0.454 . . . . 0.0 110.094 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.559 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 51.2 m-85 -105.57 122.52 46.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 112.877 -177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG2' ' HB ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -132.39 125.38 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.063 177.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.55 ' HB ' ' HG2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -126.38 150.31 31.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.997 0.903 . . . . 0.0 112.755 -177.698 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -127.85 139.75 52.44 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 113.923 -1.49 . . . . 0.0 110.71 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.41 HG13 ' CG ' ' A' ' 23' ' ' GLU . 12.8 mt -126.26 123.58 63.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.369 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -133.71 122.65 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.387 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.23 113.84 25.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.394 0.616 . . . . 0.0 109.791 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -120.16 -169.49 1.8 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.392 -179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.19 9.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.679 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' A' ' 90' ' ' LYS . 3.3 m-20 -123.81 39.16 4.03 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.132 0.491 . . . . 0.0 109.885 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.64 -102.77 2.02 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.783 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.449 HD12 ' CD1' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -136.58 146.93 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.429 ' N ' ' CD1' ' A' ' 94' ' ' LEU . 47.1 t-80 -127.05 143.98 51.15 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.739 0.304 . . . . 0.0 111.579 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.522 ' HB2' HD12 ' A' ' 61' ' ' LEU . 6.9 tt -121.39 136.19 54.99 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.349 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.652 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.97 119.71 29.52 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 178.182 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -122.58 148.65 16.94 Favored Glycine 0 C--N 1.315 -0.583 0 C-N-CA 121.083 -0.579 . . . . 0.0 113.789 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.428 ' HB ' ' HG2' ' A' ' 84' ' ' LYS . 3.2 m -128.33 142.67 51.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.814 0.34 . . . . 0.0 111.592 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -140.2 132.29 27.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.72 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.561 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.98 155.03 47.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.925 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 45' ' ' ALA . . . 104.41 54.11 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.279 -0.963 . . . . 0.0 111.539 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.3 tt0 -99.5 118.16 35.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.891 0.377 . . . . 0.0 111.24 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 177.84 82.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.058 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.566 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 1.1 tt -72.53 138.09 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.802 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -112.68 144.03 42.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.688 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.14 -49.16 33.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.952 0.406 . . . . 0.0 110.553 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -96.26 55.86 1.5 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.63 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.03 152.31 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 111.321 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -66.54 132.92 49.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HD2' ' CE1' ' A' ' 109' ' ' HIS . 0.7 OUTLIER -108.61 137.12 47.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -63.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.738 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.23 149.67 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -86.47 104.08 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 139' ' ' ASP . 14.8 p -108.18 113.09 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -25.33 67.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.142 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 174.69 -177.23 0.09 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.946 0.403 . . . . 0.0 111.671 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.432 ' CG2' ' CD1' ' A' ' 138' ' ' LEU . 2.7 p -117.33 110.05 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.614 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.3 m -115.25 104.51 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.328 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 34.6 p90 -40.95 106.85 0.06 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.362 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.647 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 4.5 t60 -55.24 -38.45 68.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 122.866 1.317 . . . . 0.0 108.02 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.459 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -176.96 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 112.056 -2.338 . . . . 0.0 106.975 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 51.33 62.84 2.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.141 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -133.33 142.99 48.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.037 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 4.1 pt -96.41 113.16 30.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.99 136.46 42.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.18 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 1.5 m-20 -97.91 122.45 41.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.003 0.43 . . . . 0.0 111.811 -178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.55 118.35 26.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.448 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.95 23.6 13.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.42 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.38 0.74 72.85 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.533 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 12.8 mt -101.99 145.73 28.87 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.558 ' CG1' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.6 136.55 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.883 -179.256 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.703 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 4.2 mttp -134.15 137.41 44.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.412 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -115.58 148.3 39.74 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.277 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.459 ' HD2' ' CB ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -125.71 120.17 29.94 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -179.175 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.747 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 11.1 t -130.43 116.81 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.647 ' N ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -85.86 140.82 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.364 1.066 . . . . 0.0 110.069 177.082 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 13' ' ' ALA . 2.4 mm? -131.04 151.94 50.88 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.919 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 115' ' ' VAL . 0.7 OUTLIER -81.79 112.21 18.73 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.627 -177.188 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.464 ' HB3' ' HA ' ' A' ' 115' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.536 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 CA-C-O 120.503 -0.054 . . . . 0.0 113.001 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.611 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.9 p90 -141.83 139.5 32.72 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.753 0.311 . . . . 0.0 110.934 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' TRP . 10.6 pt-20 -147.26 128.11 14.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.441 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 25.8 p90 -111.9 147.57 35.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.125 0.488 . . . . 0.0 112.176 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.01 154.21 22.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.755 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -89.95 102.89 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.789 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.4 t -106.44 151.06 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.969 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.632 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 67.9 m -94.95 110.84 22.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.632 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 106.77 -45.88 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.789 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.66 168.88 12.08 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.318 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.608 ' C ' HG23 ' A' ' 137' ' ' ILE . . . -147.66 120.97 8.97 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.505 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.79 ' HA2' ' HA ' ' A' ' 137' ' ' ILE . . . -116.39 135.94 12.46 Favored Glycine 0 CA--C 1.502 -0.773 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.925 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.783 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.36 154.84 20.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.972 -0.614 . . . . 0.0 109.759 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.611 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -111.07 130.96 55.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.611 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.23 150.47 40.03 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-O 121.54 0.686 . . . . 0.0 110.376 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -112.7 159.45 18.9 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.284 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.55 ' CA ' HG13 ' A' ' 25' ' ' VAL . . . -112.08 -152.51 11.86 Favored Glycine 0 CA--C 1.492 -1.405 0 CA-C-O 122.551 1.084 . . . . 0.0 114.455 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.423 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -179.36 -28.94 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 112.479 -1.86 . . . . 0.0 109.222 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -154.95 29.9 0.41 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.339 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.006 HD22 HD12 ' A' ' 132' ' ' ILE . 0.2 OUTLIER 76.79 -56.71 0.55 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.013 -179.285 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.741 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -57.81 -33.4 68.55 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 4.7 tp10 -54.75 -47.17 74.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.797 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.55 HG13 ' CA ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -63.75 -45.5 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' HE2' HD12 ' A' ' 22' ' ' LEU . 94.5 m-85 -56.32 -54.8 41.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.761 ' HB3' HG12 ' A' ' 85' ' ' VAL . 2.8 pp20? -66.2 -32.59 74.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.59 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 8.8 t-20 -65.44 -27.61 68.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.542 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.28 98.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.25 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.342 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -59.33 -35.93 74.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.282 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.783 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -53.22 -47.99 68.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.46 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -71.8 -48.77 44.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -47.84 84.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.758 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG3' HD12 ' A' ' 31' ' ' LEU . 2.9 mt-10 -53.49 -30.55 41.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.762 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.775 HG12 ' HB2' ' A' ' 113' ' ' ASP . 17.8 t -104.07 -24.86 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 33' ' ' MET . 1.8 tpt -75.76 -24.62 56.06 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.846 0.355 . . . . 0.0 110.429 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.3 t -165.88 -167.28 1.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -125.37 88.09 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.18 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.552 ' HB ' ' HA ' ' A' ' 80' ' ' PHE . 2.6 p -68.27 -22.11 64.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.9 p -62.25 78.19 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.946 0.403 . . . . 0.0 110.975 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER 173.3 -35.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.052 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 52.9 t -96.19 134.76 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.832 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -80.8 -82.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 44' ' ' GLU . . . 175.89 103.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.702 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -97.19 -23.24 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.098 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.581 ' HB2' ' HB3' ' A' ' 103' ' ' GLU . 4.9 mm-40 -136.65 170.67 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.239 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -141.78 142.95 33.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 100' ' ' ALA . 3.0 mtp180 -141.31 147.09 37.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.34 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -123.96 142.8 50.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.912 0.387 . . . . 0.0 111.158 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 97' ' ' THR . 38.9 t -125.09 147.4 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 140.01 53.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.317 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.682 HD12 ' HG ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.75 151.42 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.259 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.8 m -121.9 113.86 20.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.699 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 94' ' ' LEU . 38.3 m -121.25 164.4 17.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.798 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -149.27 41.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' VAL . 1.5 t0 -166.3 5.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? 62.7 -70.52 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 111.216 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' ASP . 10.1 p -54.15 -35.67 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -70.73 -29.99 66.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.646 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -53.96 -39.47 65.98 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.455 HD23 HD11 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -65.75 -48.57 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.792 178.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.407 ' OH ' ' CE2' ' A' ' 120' ' ' PHE . 11.7 t80 -56.97 -34.97 68.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.866 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.76 -19.69 22.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.464 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.577 ' CE3' HD11 ' A' ' 53' ' ' ILE . 2.6 t-105 -72.72 -53.22 12.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.752 0.311 . . . . 0.0 111.254 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.093 HD13 HG11 ' A' ' 136' ' ' VAL . 0.7 OUTLIER -71.22 -41.47 70.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.885 -179.496 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.57 -33.77 60.8 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -36.25 83.79 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.412 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.557 ' HG ' HD11 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -65.56 -32.07 73.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.437 179.351 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.479 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -57.52 -47.26 82.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.815 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.17 -52.31 24.46 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.557 HD11 ' HG ' ' A' ' 69' ' ' LEU . 4.1 pt -58.59 -33.44 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.569 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -49.46 -51.49 35.51 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.991 -179.386 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.14 -29.57 62.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.734 0.302 . . . . 0.0 110.219 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.3 m -64.14 -18.69 64.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -167.32 68.11 0.09 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.053 178.806 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.655 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -62.89 95.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.149 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.724 HG21 ' HA ' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -112.33 152.77 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.955 -178.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.833 HD23 ' CD2' ' A' ' 109' ' ' HIS . 0.2 OUTLIER -65.95 -45.53 81.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.573 -178.681 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.587 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 2.2 t80 -119.5 147.59 44.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.511 . . . . 0.0 111.819 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.5 t -154.31 130.5 10.37 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.262 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -91.48 146.75 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 14.6 m-85 -117.07 121.48 41.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.893 0.854 . . . . 0.0 112.727 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.648 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.2 OUTLIER -133.38 135.87 44.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.242 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.761 HG12 ' HB3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -131.63 149.45 32.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.84 0.829 . . . . 0.0 112.579 -178.11 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.679 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.8 ttpt -129.63 118.96 22.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.368 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.51 HD11 ' CD2' ' A' ' 26' ' ' PHE . 9.5 mt -116.02 124.51 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.152 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -131.68 122.81 26.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.181 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.475 ' HA ' HD22 ' A' ' 94' ' ' LEU . 1.5 pt-20 -77.13 114.17 15.65 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' A' ' 92' ' ' ASP . 5.7 mmtm -75.02 -169.59 0.95 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.443 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.95 4.44 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' A' ' 90' ' ' LYS . 10.9 p-10 171.29 -32.52 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.936 0.398 . . . . 0.0 110.309 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.84 -157.66 33.89 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.183 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -135.91 145.31 46.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.511 -0.345 . . . . 0.0 111.042 -178.806 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.451 ' O ' ' HA ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -127.37 143.72 51.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.833 179.464 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.858 ' HB2' HD21 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -127.92 125.56 39.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.642 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.741 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -125.33 119.22 27.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.051 0.453 . . . . 0.0 109.845 178.494 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.648 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.76 148.71 17.06 Favored Glycine 0 C--N 1.317 -0.525 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.744 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.403 ' CB ' ' HG2' ' A' ' 84' ' ' LYS . 9.5 m -118.97 142.86 47.41 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.928 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ARG . . . -134.69 132.75 39.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.666 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.539 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 8.2 ptp -130.47 155.69 46.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.565 0.222 . . . . 0.0 111.33 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.451 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 97.6 64.11 0.89 Allowed Glycine 0 C--N 1.334 0.436 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.961 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.724 ' HA ' HG21 ' A' ' 78' ' ' ILE . 29.7 tt0 -109.02 116.96 32.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.031 0.443 . . . . 0.0 111.556 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.54 86.67 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.677 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.655 HD12 ' O ' ' A' ' 77' ' ' PHE . 5.3 tt -79.43 137.91 20.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.373 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -103.77 167.48 9.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.75 -44.49 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.792 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -104.61 64.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.305 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.833 ' CD2' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.32 144.7 53.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.444 ' H ' HD21 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -82.7 108.37 16.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.4 ' HD3' ' HB3' ' A' ' 109' ' ' HIS . 3.4 mmm180 -108.78 137.54 46.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -114.6 -76.83 0.57 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.775 ' HB2' HG12 ' A' ' 36' ' ' VAL . 38.6 t70 -91.78 158.69 16.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.738 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -121.09 113.5 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 111.493 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.457 HG21 HD12 ' A' ' 138' ' ' LEU . 3.1 p -111.39 129.12 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.411 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 4.0 mmtt -88.5 -19.97 25.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.995 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.29 173.73 0.08 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.579 HG13 HD13 ' A' ' 138' ' ' LEU . 0.7 OUTLIER -118.24 108.26 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.388 178.136 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 120' ' ' PHE . 1.1 m -115.93 104.25 11.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.895 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.538 ' C ' ' O ' ' A' ' 119' ' ' THR . 2.2 m-85 17.83 53.17 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.673 0.749 . . . . 0.0 110.703 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.781 ' NE2' HG13 ' A' ' 136' ' ' VAL . 0.7 OUTLIER -55.07 -44.91 75.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.619 -177.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.486 ' HB3' ' CD ' ' A' ' 135' ' ' ARG . 5.4 mmt -169.26 -63.66 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.482 ' HG3' ' C ' ' A' ' 122' ' ' MET . 0.0 OUTLIER 46.1 40.33 7.06 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.279 177.67 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 2.5 tt0 -114.95 134.17 55.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.302 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 134' ' ' ALA . 14.2 mm -106.06 113.15 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.973 0.416 . . . . 0.0 111.38 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.64 136.56 43.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.309 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.51 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -109.87 122.66 48.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.997 0.427 . . . . 0.0 111.637 -179.443 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -124.46 128.27 48.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.7 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.54 20.35 8.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.86 0.362 . . . . 0.0 111.259 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.17 0.66 73.62 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.197 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 14.6 mt -98.2 145.4 26.65 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 1.006 HD12 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.76 141.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.328 0.585 . . . . 0.0 111.861 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -134.16 137.66 44.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.598 178.217 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 125' ' ' ILE . . . -116.54 148.64 40.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.629 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -124.01 119.8 30.58 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 1.093 HG11 HD13 ' A' ' 66' ' ' LEU . 21.6 t -130.95 114.92 28.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.79 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -103.39 140.92 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.025 0.93 . . . . 0.0 109.884 176.703 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.632 HD23 ' C ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -113.99 151.58 32.17 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.127 -176.583 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -81.7 141.36 33.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.521 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.566 HD13 ' CA ' ' A' ' 11' ' ' ALA . 6.8 tp . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.726 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.757 -0.137 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.705 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.2 p90 -141.61 139.82 33.18 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.491 0.186 . . . . 0.0 110.767 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 16' ' ' TRP . 3.6 pt-20 -147.3 133.05 18.93 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 111.563 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -97.04 148.25 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.973 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -108.41 140.07 42.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.966 0.412 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -59.08 101.97 0.11 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.072 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 1.094 HG21 ' O ' ' A' ' 12' ' ' ASP . 2.0 p -107.17 153.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.852 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.697 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 46.4 m -106.01 56.93 0.66 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.097 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . 148.95 -60.9 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.724 0.297 . . . . 0.0 110.487 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 1.094 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.01 123.35 40.18 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.152 0.501 . . . . 0.0 111.722 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.719 ' N ' HG11 ' A' ' 9' ' ' VAL . . . -99.22 128.17 45.31 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.987 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -109.89 146.52 17.1 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.096 -1.201 . . . . 0.0 110.096 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.81 ' CE2' HG21 ' A' ' 36' ' ' VAL . 2.4 m-85 -105.71 153.44 21.84 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.003 0.43 . . . . 0.0 110.844 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.705 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -110.97 126.06 54.37 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.388 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.802 ' HB3' ' HB3' ' A' ' 134' ' ' ALA . . . -119.4 161.35 20.65 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.495 0.664 . . . . 0.0 110.682 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' C ' HG13 ' A' ' 25' ' ' VAL . 46.9 m-85 -119.65 159.6 24.11 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.35 -1.296 . . . . 0.0 111.49 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.551 ' HA3' ' CG1' ' A' ' 132' ' ' ILE . . . -116.11 177.37 16.95 Favored Glycine 0 CA--C 1.49 -1.479 0 CA-C-O 122.361 0.978 . . . . 0.0 114.213 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -147.02 4.28 0.83 Allowed 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 112.989 -1.606 . . . . 0.0 110.206 -179.293 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 0.6 OUTLIER 158.13 35.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.297 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.68 HD12 ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 72.57 -49.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 -179.313 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.8 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -59.19 -42.77 91.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 20' ' ' HIS . 1.2 tp10 -53.49 -47.36 69.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.691 HG21 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -66.26 -31.85 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.668 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' A' ' 22' ' ' LEU . 31.6 m-85 -60.16 -54.33 47.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.691 0.281 . . . . 0.0 111.59 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.618 ' CG ' HG12 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -67.58 -34.85 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.262 179.64 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.55 -27.26 68.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.258 0.552 . . . . 0.0 109.677 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.933 ' HB1' ' CZ2' ' A' ' 65' ' ' TRP . . . -70.08 -14.3 62.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.72 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.605 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -98.74 -13.59 20.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.667 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.794 HD12 ' CD1' ' A' ' 83' ' ' PHE . 4.9 tt -89.17 -33.27 17.1 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.541 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -48.51 -45.77 37.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 111.114 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.4 tpt -71.99 -36.68 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' O ' ' HG2' ' A' ' 37' ' ' MET . 2.5 m-85 -70.99 -48.21 54.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.237 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.615 ' HB2' HD23 ' A' ' 31' ' ' LEU . 1.2 tm-20 -53.46 -30.32 40.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.016 0.436 . . . . 0.0 110.546 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.81 HG21 ' CE2' ' A' ' 15' ' ' PHE . 21.8 t -89.59 -48.13 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.358 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.567 ' HG3' HG22 ' A' ' 38' ' ' THR . 17.6 ptm -47.92 -48.48 31.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.165 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.647 ' CG2' HD12 ' A' ' 79' ' ' LEU . 0.7 OUTLIER 165.33 170.16 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.17 159.15 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.035 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -58.65 -27.2 64.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.706 ' CB ' HD13 ' A' ' 42' ' ' LEU . 54.6 m 69.72 -62.17 0.43 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.387 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.706 HD13 ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -154.05 32.36 0.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 40' ' ' THR . 2.4 t -106.69 102.98 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 110.718 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -106.1 92.0 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.143 0.497 . . . . 0.0 111.261 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.403 ' HA ' ' N ' ' A' ' 102' ' ' GLY . . . 41.49 60.47 2.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.865 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -74.67 -22.88 58.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.915 0.388 . . . . 0.0 110.62 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.678 ' O ' ' HA ' ' A' ' 101' ' ' MET . 0.4 OUTLIER -148.98 170.75 17.64 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.289 -179.669 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HA ' ' HG3' ' A' ' 101' ' ' MET . 5.0 tt0 -142.32 122.23 13.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.186 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.49 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -121.15 141.98 50.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.698 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 142.99 45.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.968 0.413 . . . . 0.0 111.483 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG11 ' HG2' ' A' ' 68' ' ' GLU . 6.7 t -130.56 144.7 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.609 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HG3' HG23 ' A' ' 97' ' ' THR . 5.3 mt-10 -125.77 138.84 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.696 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -140.0 143.71 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.419 ' OG1' ' CE1' ' A' ' 95' ' ' HIS . 1.2 m -122.34 112.86 18.62 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.005 0.431 . . . . 0.0 111.234 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.552 ' HB2' HD23 ' A' ' 61' ' ' LEU . 1.9 m -122.64 163.98 19.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.418 178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -140.02 35.13 1.94 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' VAL . 3.2 t0 -166.17 13.9 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.203 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 65.48 -66.09 0.15 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 111.255 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' ASP . 29.0 m -54.13 -39.12 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.55 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 m -63.01 -37.53 87.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.47 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -54.02 -35.93 62.45 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.951 HD11 ' CD1' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -62.4 -47.34 84.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.352 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -53.19 -33.56 53.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.853 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.61 -14.31 26.63 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.548 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.933 ' CZ2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -72.35 -55.76 6.57 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.702 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.658 HD12 ' CH2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -75.06 -43.54 52.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.682 -178.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -50.24 -35.0 24.97 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HG2' HG11 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -67.4 -44.77 78.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.829 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.605 HD21 ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -66.62 -31.86 72.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.899 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -52.37 59.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.36 -43.86 66.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.906 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.3 mt -61.92 -34.24 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.369 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -50.0 -53.04 29.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.25 -179.338 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -32.28 63.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.749 0.309 . . . . 0.0 110.421 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.2 m -64.06 -18.86 64.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.613 ' O ' HG23 ' A' ' 78' ' ' ILE . 2.0 mt-10 -165.66 71.99 0.16 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.706 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.673 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 1.5 t80 -57.88 92.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.287 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.729 HG21 ' CB ' ' A' ' 103' ' ' GLU . 30.0 pt -112.33 137.18 46.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.267 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.678 ' N ' HD13 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -65.03 -74.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.299 -179.304 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.449 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 4.1 t80 -121.12 145.08 48.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.008 0.433 . . . . 0.0 110.714 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.61 ' HB3' HD12 ' A' ' 78' ' ' ILE . 73.9 p -154.11 163.11 40.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.072 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.79 144.69 31.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.152 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.794 ' CD1' HD12 ' A' ' 31' ' ' LEU . 55.6 m-85 -119.98 122.96 42.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.427 0.632 . . . . 0.0 112.38 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.553 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -131.79 131.82 43.25 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.023 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.8 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -131.01 149.29 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.711 0.767 . . . . 0.0 112.361 -178.11 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.678 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -130.34 118.97 22.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.444 -178.351 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.549 HD11 ' CD2' ' A' ' 26' ' ' PHE . 15.4 mt -110.82 125.26 68.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.674 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -132.87 122.21 24.04 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.876 0.37 . . . . 0.0 111.438 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.95 114.66 18.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.3 mmtp -74.81 -169.78 0.95 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.944 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -58.25 7.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 90' ' ' LYS . 6.7 p-10 173.62 -36.79 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 109.955 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.09 -162.23 35.48 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.966 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 95' ' ' HIS . 0.2 OUTLIER -135.98 143.15 44.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.601 0.239 . . . . 0.0 110.757 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.482 ' N ' HD12 ' A' ' 94' ' ' LEU . 6.8 t60 -127.35 143.78 51.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 111.641 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 53' ' ' ILE . 10.3 tt -122.5 135.64 54.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.678 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.07 119.55 28.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.186 0.517 . . . . 0.0 109.651 178.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -122.24 148.55 17.06 Favored Glycine 0 C--N 1.313 -0.702 0 CA-C-N 115.784 -0.644 . . . . 0.0 113.821 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 3.4 m -127.85 142.27 51.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.479 0.18 . . . . 0.0 111.229 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.49 ' HB3' ' CD ' ' A' ' 49' ' ' ARG . . . -134.56 131.32 37.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.048 0.451 . . . . 0.0 111.143 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.678 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -132.0 155.24 48.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.323 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.421 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 95.14 37.92 4.99 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.061 -1.066 . . . . 0.0 111.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.729 ' CB ' HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -97.56 119.29 35.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.172 -0.514 . . . . 0.0 111.034 -178.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 172.33 84.06 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.673 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 9.5 tt -72.6 122.36 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -106.77 143.2 35.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.99 123.79 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.646 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.26 31.93 8.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.131 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -59.02 157.19 10.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.95 140.16 1.48 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.396 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -90.51 135.86 33.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.296 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.57 179.12 6.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.172 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -89.54 126.87 35.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.577 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.21 144.2 49.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.506 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 138' ' ' LEU . 3.4 m -69.71 109.51 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.58 -19.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.038 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -150.07 107.21 3.59 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.643 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.976 HG23 HD13 ' A' ' 138' ' ' LEU . 3.0 p -81.21 107.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.982 0.42 . . . . 0.0 110.118 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 121' ' ' HIS . 59.2 m -116.38 122.16 44.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.473 ' HB2' ' HG2' ' A' ' 123' ' ' MET . 0.1 OUTLIER -66.23 69.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.488 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 0.8 OUTLIER -76.92 -43.56 35.03 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.045 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.466 ' O ' ' HG3' ' A' ' 123' ' ' MET . 10.2 mmt -99.25 -67.49 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 32.31 71.95 0.08 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.296 179.265 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 3.5 mt-10 -163.64 134.51 4.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.065 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.951 ' CD1' HD11 ' A' ' 62' ' ' LEU . 59.3 mt -103.82 116.59 47.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 111.124 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -103.8 136.71 42.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.292 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.8 OUTLIER -94.3 122.77 37.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.932 0.396 . . . . 0.0 111.389 -179.211 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -124.17 125.4 44.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.667 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 58.6 21.02 8.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.994 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 90.98 0.7 74.11 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.853 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 11.9 mt -100.85 145.15 28.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.693 0.282 . . . . 0.0 110.268 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.65 HG21 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -102.45 136.11 36.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.874 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 10.1 mtmt -134.65 137.34 43.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.892 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.802 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . . . -108.83 148.01 31.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.55 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.678 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -139.26 124.91 19.47 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -178.815 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.987 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 16.4 t -129.84 113.6 27.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.414 176.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.712 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 1.1 mt -95.58 113.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.401 0.619 . . . . 0.0 110.189 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.976 HD13 HG23 ' A' ' 118' ' ' VAL . 5.6 mt -109.9 152.98 25.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.836 -178.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.471 ' HA ' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -81.27 142.12 33.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.242 0.544 . . . . 0.0 111.438 -177.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 11' ' ' ALA . 7.0 tp . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.2 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 120.347 -0.141 . . . . 0.0 112.951 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.43 140.08 34.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 111.004 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -144.51 136.14 25.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.482 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 34.7 p90 -114.49 147.5 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.432 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.5 ' CZ ' ' O ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -108.86 140.19 42.65 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 179.312 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.29 103.52 0.15 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.018 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 1.08 HG21 ' O ' ' A' ' 12' ' ' ASP . 1.9 p -107.14 153.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.731 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.683 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 28.1 m -106.99 58.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.241 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . 147.82 -59.13 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 1.08 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.01 124.64 43.01 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.746 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.712 ' O ' HD22 ' A' ' 138' ' ' LEU . . . -105.82 121.79 44.78 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.659 ' HA2' ' HA ' ' A' ' 137' ' ' ILE . . . -112.37 129.58 9.1 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.761 ' HD2' ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -105.69 150.19 25.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.091 0.472 . . . . 0.0 111.154 -177.757 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.498 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -110.81 125.04 53.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.393 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -121.13 144.97 48.28 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.473 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.762 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -113.29 144.25 43.04 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.794 -177.334 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' C ' ' CD2' ' A' ' 20' ' ' HIS . . . -91.25 -167.31 40.98 Favored Glycine 0 CA--C 1.474 -2.531 0 CA-C-O 122.947 1.304 . . . . 0.0 113.297 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -143.96 4.02 1.26 Allowed 'General case' 0 N--CA 1.41 -2.468 0 CA-C-N 111.71 -2.245 . . . . 0.0 109.745 -179.183 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -179.35 29.72 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.923 ' O ' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER 73.23 -57.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.179 -179.571 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.764 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -58.7 -52.51 65.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.186 0.517 . . . . 0.0 109.714 178.843 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 53.3 mm-40 -53.3 -24.23 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.778 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.923 HG12 ' O ' ' A' ' 22' ' ' LEU . 2.5 p -73.96 -32.32 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.723 ' CE1' ' HB ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -71.86 -40.95 68.64 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.801 0.334 . . . . 0.0 110.865 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.625 ' HB3' HG12 ' A' ' 85' ' ' VAL . 2.5 pp20? -62.79 -32.17 73.29 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 109.904 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.92 -27.17 68.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.053 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.745 ' HB3' ' NE1' ' A' ' 65' ' ' TRP . . . -52.33 -43.4 64.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.97 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB1' ' CZ ' ' A' ' 83' ' ' PHE . . . -72.6 -32.98 66.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.977 0.418 . . . . 0.0 110.061 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HG ' ' CE1' ' A' ' 80' ' ' PHE . 5.5 tt -59.25 -23.83 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.765 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.761 ' HB1' ' HD2' ' A' ' 15' ' ' PHE . . . -68.76 -49.19 60.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.441 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.598 ' HE1' HG22 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -51.68 -28.53 15.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.164 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CD2' ' CD2' ' A' ' 80' ' ' PHE . 3.0 t80 -51.71 -38.43 55.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.501 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -53.29 -30.37 38.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.762 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.84 HG13 ' CB ' ' A' ' 113' ' ' ASP . 23.9 t -93.87 -53.96 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.394 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 38' ' ' THR . 22.0 mmt -50.08 -55.98 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.826 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 37' ' ' MET . 0.7 OUTLIER 49.87 177.06 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.974 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 t70 64.82 8.72 4.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.615 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.882 HG22 ' CB ' ' A' ' 79' ' ' LEU . 1.1 p -72.9 -21.5 60.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.507 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -47.06 -22.19 0.32 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.666 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -29.76 48.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.692 HG11 HD11 ' A' ' 105' ' ' ILE . 3.6 m -97.34 122.96 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.87 -73.27 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB1' ' SD ' ' A' ' 101' ' ' MET . . . -145.88 84.8 1.67 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.01 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -98.12 -38.55 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.672 ' O ' ' HA ' ' A' ' 101' ' ' MET . 9.5 mm-40 -136.9 170.13 16.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.738 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -142.09 125.93 17.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.447 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.65 132.95 48.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 111.034 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 142.87 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.57 147.22 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 111.48 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -125.84 144.05 50.81 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.596 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -139.55 150.95 22.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.647 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 t -121.75 114.48 21.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.674 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -120.65 164.57 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.601 179.459 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -143.43 31.48 1.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.734 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' VAL . 23.3 t70 -176.02 18.41 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 66.36 -60.2 0.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.374 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.748 HG23 ' CB ' ' A' ' 124' ' ' GLU . 5.8 p -53.7 -44.84 59.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.833 0.349 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.457 ' N ' HG13 ' A' ' 59' ' ' VAL . 56.4 m -61.73 -30.98 71.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.363 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -53.96 -40.47 66.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.509 ' CD2' ' HB1' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -72.09 -47.39 51.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.555 179.461 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.14 -39.5 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.14 -15.81 54.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.291 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.745 ' NE1' ' HB3' ' A' ' 29' ' ' ALA . 1.7 t-105 -72.77 -53.59 11.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 111.08 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.935 ' CD1' HG11 ' A' ' 136' ' ' VAL . 1.4 mt -71.68 -34.62 69.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -34.07 69.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -52.43 29.54 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.643 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -31.09 67.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.632 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.82 -52.25 57.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -70.48 -44.85 66.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.045 0.45 . . . . 0.0 110.632 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.1 mt -61.01 -33.67 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.118 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -49.54 -49.72 45.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.549 -179.11 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 77' ' ' PHE . 10.4 t0 -73.04 -35.12 66.67 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 m -64.17 -18.29 64.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 78' ' ' ILE . 4.6 pt-20 -164.9 77.13 0.3 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.484 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.759 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 55.6 m-85 -55.89 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.911 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 76' ' ' GLU . 27.7 pt -111.83 147.91 15.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.105 0.478 . . . . 0.0 111.182 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.882 ' CB ' HG22 ' A' ' 40' ' ' THR . 7.6 mt -79.4 -81.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.566 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.805 ' HB3' HG21 ' A' ' 40' ' ' THR . 16.1 t80 -136.78 142.9 42.97 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.107 0.48 . . . . 0.0 110.471 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.517 ' HB2' ' O ' ' A' ' 101' ' ' MET . 30.1 p -154.23 163.33 40.3 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.104 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -79.65 122.24 26.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.544 ' CB ' ' HB2' ' A' ' 27' ' ' GLU . 88.7 m-85 -104.58 121.67 44.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.586 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.588 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.3 OUTLIER -102.16 136.14 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.532 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.764 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -132.96 149.73 32.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.659 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -129.98 139.11 51.11 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 113.459 -1.7 . . . . 0.0 110.077 -179.256 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.687 HG13 ' HB3' ' A' ' 23' ' ' GLU . 56.3 mt -128.34 124.53 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.328 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -132.95 127.24 33.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.33 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -77.08 115.25 16.71 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.2 mmtt -74.75 -169.19 0.83 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.431 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.42 2.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 169.4 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.339 0.12 0 CA-C-O 120.804 0.335 . . . . 0.0 110.808 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.98 -145.87 18.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.349 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -135.92 136.58 40.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.463 -0.368 . . . . 0.0 111.099 -178.564 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -127.86 140.5 51.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.527 179.025 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.686 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 8.6 tt -127.94 141.65 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.728 0.299 . . . . 0.0 111.447 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.659 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.79 119.21 27.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.09 0.472 . . . . 0.0 109.893 178.597 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.588 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.96 148.36 17.0 Favored Glycine 0 C--N 1.315 -0.602 0 C-N-CA 120.817 -0.706 . . . . 0.0 114.058 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.401 ' CB ' ' HE3' ' A' ' 84' ' ' LYS . 9.6 m -126.08 141.27 52.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.577 0.227 . . . . 0.0 110.497 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -133.82 132.71 40.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.79 0.328 . . . . 0.0 111.335 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.672 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.62 148.05 52.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.473 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 107.99 48.43 0.89 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.58 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.508 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.1 tt0 -104.69 115.98 31.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.812 0.339 . . . . 0.0 111.408 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 176.33 34.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.097 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.759 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 21.5 mm -95.74 138.32 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.938 0.399 . . . . 0.0 111.751 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 169.75 12.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.376 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -62.86 131.4 48.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.146 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.51 47.74 43.9 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.784 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -83.5 104.48 13.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 111.323 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.95 98.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.579 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -108.88 124.07 50.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.732 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -112.53 -32.66 6.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.169 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.84 ' CB ' HG13 ' A' ' 36' ' ' VAL . 3.9 m-20 -119.21 159.21 24.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.659 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -116.72 104.98 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.404 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.592 ' O ' HG13 ' A' ' 115' ' ' VAL . 12.1 p -111.33 109.71 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.251 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.6 mttp -59.05 -26.49 64.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.502 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.86 -176.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.004 0.431 . . . . 0.0 111.541 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.855 HG13 HD12 ' A' ' 138' ' ' LEU . 19.7 t -113.48 108.96 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.873 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 19.2 m -112.38 104.58 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.453 ' CB ' ' HG3' ' A' ' 123' ' ' MET . 21.9 p90 -37.29 101.9 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.888 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.697 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 0.8 OUTLIER -55.51 -34.33 64.55 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 122.498 1.142 . . . . 0.0 108.197 178.447 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.423 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 176.92 -32.04 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 112.805 -1.998 . . . . 0.0 107.941 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.456 ' SD ' HG22 ' A' ' 136' ' ' VAL . 1.1 mmm 52.13 59.1 4.77 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.753 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.748 ' CB ' HG23 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -133.93 134.79 43.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.214 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.803 HG21 HG11 ' A' ' 25' ' ' VAL . 4.3 mt -96.25 112.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.082 0.467 . . . . 0.0 110.703 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.631 HD11 ' HE3' ' A' ' 133' ' ' LYS . 2.9 pp -103.51 136.53 43.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.137 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.602 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 10.8 p-10 -100.89 121.99 42.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.112 0.482 . . . . 0.0 111.774 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -124.97 128.65 48.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.331 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 t0 59.21 20.44 8.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 89.36 0.67 79.53 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.6 OUTLIER -96.92 146.18 25.19 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.555 0.342 . . . . 0.0 110.1 179.53 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.901 HG21 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.3 136.36 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.289 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.648 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 3.2 mtpp -134.49 136.76 43.38 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.783 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.509 ' HB1' ' CD2' ' A' ' 62' ' ' LEU . . . -126.34 142.88 51.36 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.566 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.466 ' HD3' ' CD2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -126.15 124.58 40.84 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -178.577 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.935 HG11 ' CD1' ' A' ' 66' ' ' LEU . 45.8 t -129.79 117.03 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.407 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.899 ' O ' HD13 ' A' ' 138' ' ' LEU . 1.0 OUTLIER -86.33 141.43 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.025 0.93 . . . . 0.0 111.851 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.899 HD13 ' O ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -126.9 151.63 48.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.52 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 115' ' ' VAL . 20.5 t0 -82.09 138.62 34.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.335 0.588 . . . . 0.0 112.121 -177.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.522 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 120.329 -0.15 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.564 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.02 139.88 34.0 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.832 0.316 . . . . 0.0 110.921 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.18 153.72 40.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.118 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 34.3 p90 -114.64 147.32 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.349 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -109.05 169.25 8.8 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.453 179.31 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -66.06 92.73 0.18 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.136 0.493 . . . . 0.0 112.271 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.925 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 3.5 p -107.22 152.3 8.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.322 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.62 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 76.7 m -137.45 98.89 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.544 178.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.653 ' O ' ' N ' ' A' ' 140' ' ' LEU . . . 115.29 -42.15 0.01 OUTLIER 'General case' 0 C--N 1.347 0.499 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.925 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.68 171.51 10.02 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.718 ' HA ' HG11 ' A' ' 9' ' ' VAL . . . -146.62 120.84 9.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.104 0.478 . . . . 0.0 111.232 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.882 ' HA3' HG12 ' A' ' 137' ' ' ILE . . . -122.7 129.86 7.66 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.685 ' CZ ' HG22 ' A' ' 36' ' ' VAL . 1.5 m-85 -107.93 152.22 24.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.033 0.444 . . . . 0.0 110.834 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.564 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -111.36 124.89 53.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.399 179.216 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.632 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -127.52 157.4 40.23 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.833 ' HB3' HD11 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -113.36 159.43 19.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.179 -178.192 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.687 ' CA ' HG13 ' A' ' 25' ' ' VAL . . . -109.07 -171.82 20.9 Favored Glycine 0 CA--C 1.489 -1.578 0 CA-C-O 122.426 1.014 . . . . 0.0 113.853 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -139.73 1.58 1.91 Allowed 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 112.671 -1.764 . . . . 0.0 109.736 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 0.9 OUTLIER 155.68 44.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.104 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.944 HD13 HG21 ' A' ' 132' ' ' ILE . 2.2 mm? 70.9 -57.81 0.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.461 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.547 ' HG2' HG22 ' A' ' 85' ' ' VAL . 13.0 tt0 -52.0 -31.71 30.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.436 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 1.6 tp10 -73.56 -47.6 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.687 HG13 ' CA ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -59.42 -50.71 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.752 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.737 ' HB2' HG21 ' A' ' 85' ' ' VAL . 22.3 m-85 -49.8 -38.38 34.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.223 0.535 . . . . 0.0 110.12 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.657 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -65.81 -41.68 91.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.867 179.173 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -27.6 64.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.854 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.06 -49.39 66.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.27 64.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -44.01 90.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -60.04 -42.86 95.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -71.71 -48.64 45.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.64 -33.43 75.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.92 -30.58 64.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.936 0.398 . . . . 0.0 110.606 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.741 HG12 ' HB3' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -85.09 -33.62 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.767 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mmm -79.94 -29.35 39.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.702 HG21 ' CD1' ' A' ' 79' ' ' LEU . 12.0 t -177.81 -164.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HB3' HD11 ' A' ' 42' ' ' LEU . 2.4 t70 -122.6 104.0 9.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.896 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.434 ' HA ' ' HB2' ' A' ' 80' ' ' PHE . 36.9 p -71.8 -21.35 61.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.391 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.9 t -40.45 -29.05 0.08 Allowed 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -113.43 61.18 0.65 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.964 0.411 . . . . 0.0 111.151 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.3 p -91.17 134.67 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -21.19 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.512 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.04 113.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.825 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -123.46 -47.94 1.96 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.257 0.551 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.738 ' O ' ' HA ' ' A' ' 101' ' ' MET . 1.0 OUTLIER -121.59 170.92 9.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.441 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -142.38 122.47 13.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.534 ' NH2' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -121.16 154.59 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.232 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -123.76 142.94 50.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 111.737 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.493 HG11 ' HG2' ' A' ' 68' ' ' GLU . 34.9 t -128.37 149.0 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.173 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.606 ' HG2' HG23 ' A' ' 97' ' ' THR . 0.7 OUTLIER -125.78 141.79 51.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.471 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.58 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.81 147.74 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.778 -179.28 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 82.8 p -121.84 114.4 20.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.243 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.752 ' HB3' HD22 ' A' ' 61' ' ' LEU . 3.1 t -121.01 163.33 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.871 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HG2' ' HA3' ' A' ' 93' ' ' GLY . 24.7 mt-10 -156.25 25.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.638 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -158.6 19.51 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.512 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 65.87 -66.89 0.15 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.499 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.1 m -54.17 -35.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.495 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 t -59.4 -41.6 89.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.123 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 55' ' ' SER . 0.0 OUTLIER -54.11 -47.57 71.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.783 0.325 . . . . 0.0 110.22 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.68 HD23 HD11 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -69.93 -47.58 61.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.307 179.241 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -56.85 -35.03 68.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.88 -17.2 23.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.561 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.555 ' CE3' HD11 ' A' ' 53' ' ' ILE . 5.8 t-105 -72.83 -52.93 12.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.637 0.256 . . . . 0.0 111.191 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.862 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.5 OUTLIER -69.19 -43.47 74.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.745 -179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.21 -33.52 41.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.216 0.532 . . . . 0.0 109.596 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HG2' HG11 ' A' ' 51' ' ' VAL . 1.1 tp10 -66.57 -35.58 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.483 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.823 HD23 HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -71.02 -31.83 68.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.494 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -48.54 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.505 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' O ' HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -70.52 -52.19 23.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.449 -179.346 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.823 HD11 HD23 ' A' ' 69' ' ' LEU . 2.4 pp -55.31 -33.94 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.572 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.682 ' N ' HD12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -49.74 -52.66 29.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.353 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -73.37 -36.6 66.12 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.53 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 71' ' ' PHE . 2.7 p -64.2 -18.22 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.643 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -161.66 76.79 0.52 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.874 178.467 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.432 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -58.8 96.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.139 179.339 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.79 HG21 ' HB2' ' A' ' 103' ' ' GLU . 1.1 pt -112.77 144.37 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.335 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.702 ' CD1' HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER -77.61 -71.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.539 -179.238 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 18.1 p90 -123.86 142.04 51.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.481 ' OG ' HD13 ' A' ' 78' ' ' ILE . 3.3 m -153.8 159.4 41.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.33 150.08 27.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.331 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -118.35 122.4 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.523 0.678 . . . . 0.0 111.994 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.473 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.19 115.51 15.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.384 178.289 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.737 HG21 ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -110.6 149.63 13.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.535 0.683 . . . . 0.0 112.108 -178.4 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.761 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 1.7 tttm -130.65 118.91 21.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.249 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.446 HD11 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -123.52 140.73 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 121.821 -0.55 . . . . 0.0 110.37 179.213 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.584 ' HB2' ' CE1' ' A' ' 95' ' ' HIS . 0.5 OUTLIER -133.06 122.5 24.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.609 -178.657 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -83.0 113.77 20.8 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 93' ' ' GLY . 3.8 mmtp -92.73 -169.34 2.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.878 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.84 6.36 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.629 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER 172.15 -37.6 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.1 0.476 . . . . 0.0 110.175 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 90' ' ' LYS . . . -108.71 168.44 13.52 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.476 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.683 HD23 ' N ' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -136.28 136.4 39.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.44 0.62 . . . . 0.0 111.995 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 88' ' ' ASP . 33.3 p80 -105.49 143.5 33.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.625 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.761 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 8.2 tt -114.89 141.0 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 111.6 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.719 ' N ' HD23 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -125.05 119.18 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.688 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -117.12 148.3 18.84 Favored Glycine 0 C--N 1.315 -0.599 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.494 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 4.7 m -127.25 142.29 51.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.418 ' HB3' ' CG ' ' A' ' 49' ' ' ARG . . . -132.54 132.38 42.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.944 0.402 . . . . 0.0 111.271 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.738 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 5.3 mtt -131.08 155.63 46.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.597 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.79 51.05 4.17 Favored Glycine 0 CA--C 1.507 -0.408 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.79 ' HB2' HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -92.67 116.09 28.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.121 -0.539 . . . . 0.0 111.627 -178.183 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.79 113.88 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.651 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.502 HD13 HD23 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -88.27 138.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.916 0.389 . . . . 0.0 111.035 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 109' ' ' HIS . 0.0 OUTLIER -121.65 -172.75 2.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.646 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -93.6 113.45 25.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.444 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 47.86 42.1 21.54 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.236 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 106' ' ' LYS . 1.2 t-80 -83.58 110.22 18.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.771 0.32 . . . . 0.0 111.06 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 57.06 83.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.81 102.75 11.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -92.66 -58.11 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.472 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.741 ' HB3' HG12 ' A' ' 36' ' ' VAL . 42.0 t0 -124.91 159.16 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.326 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -110.14 103.36 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.02 0.438 . . . . 0.0 111.798 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.5 t -111.84 109.56 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.982 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 21.72 11.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.604 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -177.59 121.72 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.847 HG23 ' CD1' ' A' ' 138' ' ' LEU . 2.3 p -101.37 108.5 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.684 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.42 ' N ' HD22 ' A' ' 138' ' ' LEU . 5.6 t -114.13 127.6 55.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.298 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.414 ' HB2' ' HG3' ' A' ' 123' ' ' MET . 0.1 OUTLIER -69.58 67.04 0.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.547 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -60.62 -43.77 97.08 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.187 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.63 -65.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 110.752 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.597 ' HA ' HG22 ' A' ' 136' ' ' VAL . 0.3 OUTLIER 45.33 39.55 4.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.093 0.473 . . . . 0.0 110.705 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -115.36 143.02 45.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.68 HD11 HD23 ' A' ' 62' ' ' LEU . 62.5 mt -111.34 113.07 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.435 . . . . 0.0 111.599 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.87 136.52 45.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.78 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.6 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 10.4 t70 -108.06 122.13 46.24 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.622 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -124.84 131.24 53.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.724 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 57.58 21.27 6.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 111.217 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 89.63 0.5 78.89 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.833 HD11 ' HB3' ' A' ' 18' ' ' TYR . 3.3 tm? -91.88 139.15 30.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.944 HG21 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -101.16 122.97 53.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.554 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 26.5 mttt -116.76 136.92 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.703 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -118.32 141.48 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.494 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 123' ' ' MET . 0.0 OUTLIER -138.48 119.16 14.03 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.862 HG11 ' CD1' ' A' ' 66' ' ' LEU . 72.8 t -130.74 114.71 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.437 176.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.882 HG12 ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -99.23 120.99 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.785 0.802 . . . . 0.0 109.95 177.481 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.847 ' CD1' HG23 ' A' ' 118' ' ' VAL . 6.2 mt -106.82 153.21 22.81 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.418 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.7 142.15 34.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.503 0.668 . . . . 0.0 111.688 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.653 ' N ' ' O ' ' A' ' 11' ' ' ALA . 4.8 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.059 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.239 0 CA-C-O 120.236 -0.202 . . . . 0.0 112.955 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.17 139.96 34.03 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.961 0.41 . . . . 0.0 111.146 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -147.04 128.57 15.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 38.4 p90 -94.77 147.71 23.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.901 0.381 . . . . 0.0 111.849 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CE1' ' CA ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -108.6 169.2 8.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.672 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -100.06 99.32 10.03 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.3 t -106.71 151.34 8.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.487 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.641 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.1 m -96.1 103.8 15.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.328 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.641 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 112.71 -45.15 0.0 OUTLIER 'General case' 0 C--N 1.346 0.428 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.806 ' HB2' HG22 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.65 169.62 11.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.447 179.812 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.607 ' C ' HG23 ' A' ' 137' ' ' ILE . . . -147.62 121.27 9.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.794 ' N ' HG23 ' A' ' 137' ' ' ILE . . . -115.52 143.05 17.96 Favored Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.78 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.746 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -109.58 141.96 41.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.88 0.371 . . . . 0.0 110.116 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -111.77 125.15 53.68 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.163 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -124.69 162.73 23.56 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.415 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -115.08 159.6 20.64 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.388 -178.178 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.77 ' N ' HG13 ' A' ' 25' ' ' VAL . . . -107.43 -151.8 17.48 Favored Glycine 0 CA--C 1.491 -1.422 0 CA-C-N 114.77 -1.104 . . . . 0.0 113.263 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.527 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 178.65 -24.96 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 113.268 -1.466 . . . . 0.0 109.886 -178.599 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' OD2' ' CD2' ' A' ' 20' ' ' HIS . 0.7 OUTLIER -165.27 29.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.472 179.744 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' A' ' 132' ' ' ILE . 1.7 mt 80.27 -51.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.199 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.744 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -67.0 -31.92 72.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.586 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HG3' ' HB3' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -61.36 -42.56 98.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.829 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.77 HG13 ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -73.74 -46.49 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.161 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.603 ' CE1' HD13 ' A' ' 125' ' ' ILE . 30.9 m-85 -52.36 -54.54 30.44 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.666 ' CG ' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -63.43 -33.14 74.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.911 0.386 . . . . 0.0 110.727 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.537 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 3.9 m-20 -63.14 -33.13 74.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.44 73.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 69' ' ' LEU . . . -65.78 -40.2 91.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -34.39 64.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.967 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.746 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -59.4 -50.52 73.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.668 ' HB2' HD21 ' A' ' 66' ' ' LEU . 10.5 tpt -71.84 -30.58 65.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 2.1 m-85 -64.23 -52.15 60.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.65 -30.87 45.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.634 HG21 ' HZ ' ' A' ' 15' ' ' PHE . 20.2 t -81.57 -35.45 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.929 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.481 ' C ' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -54.63 -35.73 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.955 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.608 HG21 HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER 176.7 -89.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.622 ' O ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER 175.39 107.91 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.736 0.303 . . . . 0.0 110.893 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.622 ' HB ' ' HA ' ' A' ' 80' ' ' PHE . 2.9 p -72.12 -21.44 61.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.336 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.779 ' C ' HD13 ' A' ' 42' ' ' LEU . 7.1 p -64.81 63.29 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.01 HD23 HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER 177.89 -17.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.553 179.198 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.01 HG23 HD23 ' A' ' 42' ' ' LEU . 51.2 t -110.09 134.78 51.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.752 0.311 . . . . 0.0 110.305 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 1.1 mt-10 -81.68 -82.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.409 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.763 ' HB1' ' SD ' ' A' ' 101' ' ' MET . . . 175.75 105.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.456 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -104.63 -32.17 9.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.967 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.761 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.3 mm-40 -135.73 151.98 50.69 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.11 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 101' ' ' MET . 18.7 tt0 -132.41 142.07 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 111.212 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -139.15 156.3 47.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.708 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.1 142.92 45.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.049 0.452 . . . . 0.0 111.142 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.404 HG21 HD13 ' A' ' 72' ' ' ILE . 9.6 t -127.45 145.41 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.65 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -125.94 144.6 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.078 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.796 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -138.55 151.83 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.796 -179.01 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.3 m -121.83 114.87 21.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.692 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.573 ' HB3' HD23 ' A' ' 61' ' ' LEU . 16.0 t -120.53 163.74 17.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.631 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.567 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.5 mt-10 -155.01 29.74 0.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.373 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' VAL . 8.3 t70 -174.94 24.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.774 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 63.83 -67.86 0.1 Allowed 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.866 0.365 . . . . 0.0 111.818 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' ASP . 9.0 p -54.1 -35.72 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.627 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -42.85 99.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.24 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.846 HD11 HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -54.22 -53.38 54.28 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.688 0.28 . . . . 0.0 110.359 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.73 HD23 HG23 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -58.83 -38.46 78.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.069 0.461 . . . . 0.0 110.344 179.252 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.421 ' CE1' ' CG ' ' A' ' 120' ' ' PHE . 4.8 t80 -63.48 -35.07 79.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.004 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.91 -11.8 24.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.665 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.523 ' HA ' ' CE3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -72.83 -52.85 13.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.957 0.408 . . . . 0.0 111.0 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.849 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.5 OUTLIER -66.15 -47.85 72.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -51.95 -33.3 37.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.511 ' C ' HD12 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -63.97 -40.49 96.53 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.246 178.536 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -61.46 -32.04 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.101 179.137 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.002 HD11 HG11 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -59.46 -52.54 65.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.883 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.39 -45.87 61.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.511 HD12 ' C ' ' A' ' 68' ' ' GLU . 13.6 mt -59.01 -34.94 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.7 m-70 -56.72 -53.29 59.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.942 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -73.79 -32.9 63.99 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.761 0.315 . . . . 0.0 110.292 179.24 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.1 m -64.07 -18.34 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -165.06 72.01 0.18 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.977 178.696 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' A' ' 74' ' ' ASP . 73.0 m-85 -45.31 91.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.745 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.915 HG22 ' HA ' ' A' ' 103' ' ' GLU . 33.9 pt -112.22 134.81 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.322 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.617 ' O ' HG22 ' A' ' 40' ' ' THR . 17.2 mt -83.01 -41.35 18.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.044 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.622 ' HA ' ' HB ' ' A' ' 40' ' ' THR . 3.6 t80 -119.87 145.84 46.31 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.689 ' OG ' ' HB1' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -154.3 130.76 10.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.237 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -82.19 150.0 27.62 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.549 ' HB2' ' HB3' ' A' ' 27' ' ' GLU . 1.4 p90 -106.3 119.73 40.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 122.025 0.917 . . . . 0.0 113.162 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.63 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -134.96 115.15 13.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.728 -1.578 . . . . 0.0 107.112 176.571 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.744 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -124.46 149.23 28.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.909 0.861 . . . . 0.0 112.733 -178.468 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.777 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -130.06 118.77 22.04 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.849 -178.614 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.568 HD12 ' CE2' ' A' ' 26' ' ' PHE . 3.2 tt -128.42 142.69 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 121.939 -0.476 . . . . 0.0 110.999 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 31.9 t70 -124.34 120.62 32.67 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.59 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -105.6 112.07 25.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.725 0.774 . . . . 0.0 110.912 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.67 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -133.21 -167.06 1.86 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.299 -1.318 . . . . 0.0 108.43 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' LYS . 4.2 t70 -19.22 -37.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 164.58 -33.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.051 0.453 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.508 ' O ' ' CE ' ' A' ' 90' ' ' LYS . . . -75.43 78.54 1.13 Allowed Glycine 0 C--O 1.226 -0.352 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.916 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -93.13 140.4 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.986 0.422 . . . . 0.0 111.33 -179.062 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.417 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 6.5 p80 -125.94 143.59 51.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.373 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.846 HD13 HD11 ' A' ' 61' ' ' LEU . 8.0 tt -110.73 141.36 44.12 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.702 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.596 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.91 119.48 28.9 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.704 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.63 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -124.94 148.82 16.85 Favored Glycine 0 C--N 1.313 -0.717 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.935 -178.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.6 m -118.86 142.72 47.48 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.751 0.31 . . . . 0.0 111.81 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.689 ' HB1' ' OG ' ' A' ' 81' ' ' SER . . . -137.02 132.51 34.35 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.794 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.763 ' SD ' ' HB1' ' A' ' 45' ' ' ALA . 4.0 ttt -130.97 153.65 48.98 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.998 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.456 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 106.94 58.21 0.6 Allowed Glycine 0 C--N 1.338 0.674 0 C-N-CA 119.844 -1.17 . . . . 0.0 112.581 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.915 ' HA ' HG22 ' A' ' 78' ' ' ILE . 1.3 tt0 -103.21 116.04 31.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.039 0.447 . . . . 0.0 110.983 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 177.88 69.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.418 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.74 HD13 ' N ' ' A' ' 106' ' ' LYS . 0.1 OUTLIER -72.86 127.86 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.287 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.74 ' N ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -106.2 140.52 39.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.5 104.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.274 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.11 30.24 55.48 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.664 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -79.17 115.98 19.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 61.18 113.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -108.65 129.17 55.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -158.02 -176.22 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -89.63 127.54 35.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.468 ' HA ' HG12 ' A' ' 36' ' ' VAL . 21.6 tt0 -121.61 144.0 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 115' ' ' VAL . 29.5 m -70.04 109.41 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.398 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -55.61 -20.9 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.791 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -141.16 125.33 17.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.934 0.397 . . . . 0.0 111.909 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 1.002 HG11 HD11 ' A' ' 70' ' ' LEU . 7.3 p -98.79 107.91 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.258 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 137' ' ' ILE . 94.0 m -116.13 129.84 56.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 35.6 p90 -69.53 69.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.544 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -59.32 -43.79 92.66 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.689 -178.5 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -64.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.633 0.254 . . . . 0.0 110.477 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.681 ' HE1' ' HB3' ' A' ' 66' ' ' LEU . 1.4 mtt 44.81 48.98 9.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.066 0.46 . . . . 0.0 110.671 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -128.59 146.26 50.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.588 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.73 HG23 HD23 ' A' ' 62' ' ' LEU . 2.6 pt -111.18 112.94 42.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.022 0.439 . . . . 0.0 111.488 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.641 ' H ' HD13 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -110.76 151.37 27.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.817 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 2.0 p30 -110.78 121.68 45.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.275 0.56 . . . . 0.0 112.318 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 131' ' ' LEU . 18.0 tt0 -125.24 138.3 54.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.81 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 59.61 19.62 8.2 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.119 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 85.26 0.61 88.54 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -105.62 145.67 30.7 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.27 143.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.677 0.275 . . . . 0.0 110.468 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -133.25 137.07 45.93 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.027 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.596 ' HB1' HD21 ' A' ' 62' ' ' LEU . . . -110.79 138.9 46.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.668 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -134.95 120.13 18.85 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.853 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.849 HG11 ' CD1' ' A' ' 66' ' ' LEU . 25.1 t -130.07 114.77 30.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.857 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.861 ' C ' HD23 ' A' ' 138' ' ' LEU . 1.0 OUTLIER -97.96 135.55 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-O 121.443 0.64 . . . . 0.0 110.071 177.671 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.992 HD13 HG23 ' A' ' 118' ' ' VAL . 5.3 mt -123.29 152.8 41.03 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.497 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.21 142.37 33.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.387 0.613 . . . . 0.0 112.075 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.547 HD23 ' CA ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.37 -1.287 . . . . 0.0 112.5 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.721 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--O 1.226 -0.363 0 CA-C-O 119.955 -0.358 . . . . 0.0 112.906 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.665 ' CD2' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -142.27 139.66 31.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 117.166 0.483 . . . . 0.0 110.766 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -148.08 153.56 39.06 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.851 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -110.01 147.32 33.74 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.632 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -120.44 144.74 47.79 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -178.094 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 31.84 27.17 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.98 HG21 ' O ' ' A' ' 12' ' ' ASP . 8.0 p -106.38 150.56 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 C-N-CA 119.896 -0.721 . . . . 0.0 112.676 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 9' ' ' VAL . 6.5 m -58.44 -36.9 74.38 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.259 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' ' 9' ' ' VAL . . . -159.72 -43.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.499 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.98 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -125.94 119.98 29.18 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -179.697 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.958 ' HB2' ' HB ' ' A' ' 9' ' ' VAL . . . -150.51 165.97 31.62 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.506 -1.224 . . . . 0.0 110.487 176.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.953 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -43.51 131.56 6.05 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 119.629 -1.272 . . . . 0.0 110.027 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.549 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 1.3 m-85 -105.29 152.08 23.34 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.691 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.631 ' HE1' HD21 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -109.36 124.16 50.51 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.721 ' HA ' ' O ' ' A' ' 3' ' ' GLY . . . -121.0 163.69 17.9 Favored 'General case' 0 CA--C 1.491 -1.326 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.378 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.443 ' CD2' ' CG ' ' A' ' 133' ' ' LYS . 7.5 m-85 -134.31 154.39 51.34 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.341 -177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.477 ' HA3' HG12 ' A' ' 132' ' ' ILE . . . -114.64 -141.72 7.68 Favored Glycine 0 CA--C 1.487 -1.695 0 CA-C-O 122.449 1.027 . . . . 0.0 113.632 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.483 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 175.12 -29.23 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 112.716 -1.742 . . . . 0.0 108.882 -177.621 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 7.8 t70 -150.37 33.04 0.64 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.452 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.736 ' H ' HD11 ' A' ' 132' ' ' ILE . 1.0 OUTLIER 74.49 -58.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.957 -179.216 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 3.3 mt-10 -58.12 -31.17 66.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.04 0.447 . . . . 0.0 109.978 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' A' ' 20' ' ' HIS . 3.4 tp10 -64.79 -47.36 78.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.395 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 22' ' ' LEU . 9.3 p -66.57 -38.88 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.68 ' CZ ' HD22 ' A' ' 62' ' ' LEU . 21.8 m-85 -65.82 -43.72 87.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.825 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.567 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -55.21 -38.71 68.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.356 179.401 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.57 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 30.3 m-20 -70.2 -26.96 64.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.21 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.979 ' HB1' ' CE2' ' A' ' 65' ' ' TRP . . . -64.39 -35.14 79.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.568 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.702 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -73.3 -22.56 60.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.896 0.379 . . . . 0.0 110.765 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.749 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -73.88 -32.51 63.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.613 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -54.03 -52.28 61.33 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.11 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.686 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 2.3 m-85 -71.92 -39.48 69.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.518 ' HB2' HD13 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -53.38 -33.01 52.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.002 0.43 . . . . 0.0 110.475 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 114' ' ' GLU . 21.9 t -73.0 -30.57 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.332 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.59 ' O ' HG22 ' A' ' 38' ' ' THR . 5.3 mmm -75.27 -33.34 61.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.534 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.781 HG21 ' CD ' ' A' ' 112' ' ' ARG . 5.4 t 48.53 -174.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.625 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 38' ' ' THR . 35.8 t0 81.79 -15.09 0.74 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.943 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -72.08 -21.72 61.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.144 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 t -69.06 -2.97 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.797 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -124.32 15.48 9.0 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.688 0.28 . . . . 0.0 111.38 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.564 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 59.5 t -119.02 135.04 60.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.062 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 4.1 mt-10 -78.87 -80.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.603 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.743 ' HB1' ' SD ' ' A' ' 101' ' ' MET . . . 175.13 104.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.544 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.514 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -87.47 -56.33 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.79 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.817 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.3 mm-40 -131.17 142.12 50.17 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 101' ' ' MET . 25.6 tt0 -120.36 122.47 40.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.951 0.405 . . . . 0.0 111.192 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -122.38 144.53 48.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.492 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -102.54 142.03 34.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.04 0.448 . . . . 0.0 110.95 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.546 HG11 ' HG2' ' A' ' 68' ' ' GLU . 21.5 t -119.47 146.87 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.576 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.524 ' HG3' HG23 ' A' ' 97' ' ' THR . 0.1 OUTLIER -126.44 143.94 51.01 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 1.009 HD12 HD13 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -139.91 146.12 25.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.014 -178.736 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.41 114.08 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.258 0.551 . . . . 0.0 110.632 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.488 ' HB3' HD12 ' A' ' 61' ' ' LEU . 41.5 t -121.02 164.29 16.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.784 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -152.4 54.0 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 111.046 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.9 t0 -178.86 10.79 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 63.92 -69.88 0.08 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.705 0.288 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 57' ' ' ASP . 29.5 m -54.43 -43.25 62.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.765 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 59' ' ' VAL . 33.1 t -63.81 -34.54 78.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.252 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.938 HD12 ' HB3' ' A' ' 94' ' ' LEU . 1.9 tt -53.93 -34.66 60.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.756 ' O ' ' HE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -64.67 -49.38 71.22 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.492 178.733 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -54.22 -34.69 61.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.27 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.456 ' HB3' HG21 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -79.09 -9.56 59.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.158 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.979 ' CE2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -73.04 -54.42 8.6 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.449 -179.583 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.853 HD12 ' CH2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -73.85 -43.81 57.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.769 -178.233 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -33.05 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.143 0.497 . . . . 0.0 109.728 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.546 ' HG2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -69.13 -40.2 78.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.65 178.619 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.702 HD21 ' HB1' ' A' ' 30' ' ' ALA . 8.1 mp -72.03 -32.14 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.482 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -52.61 53.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.477 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -50.4 32.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.563 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 68' ' ' GLU . 2.7 tt -53.74 -34.33 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.897 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -53.02 30.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.076 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -73.63 -33.63 64.62 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 120.775 0.322 . . . . 0.0 110.139 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -18.84 64.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 78' ' ' ILE . 3.4 pt-20 -163.67 73.11 0.29 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.162 178.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -46.36 93.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.439 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.938 HG22 ' HA ' ' A' ' 103' ' ' GLU . 21.2 pt -112.33 124.51 69.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.621 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.893 ' O ' HG22 ' A' ' 40' ' ' THR . 0.4 OUTLIER -73.46 -41.18 63.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.014 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.734 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 1.3 t80 -119.46 141.8 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.759 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.732 ' OG ' ' HB1' ' A' ' 100' ' ' ALA . 1.7 t -154.32 130.4 10.3 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.534 -0.467 . . . . 0.0 112.195 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -86.22 136.96 32.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.469 ' CD1' ' CB ' ' A' ' 30' ' ' ALA . 5.8 m-85 -105.47 120.75 42.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.98 0.895 . . . . 0.0 113.153 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.53 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -134.23 114.69 13.31 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 176.607 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.567 HG11 ' N ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -112.97 148.81 15.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.59 0.71 . . . . 0.0 112.498 -178.026 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.62 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.7 tttm -130.35 132.81 46.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.93 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.0 mt -128.5 129.47 68.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.535 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.88 122.01 23.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.949 0.404 . . . . 0.0 111.787 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.502 ' HG2' HD13 ' A' ' 94' ' ' LEU . 6.9 mt-10 -105.48 114.21 28.25 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.173 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -131.13 -169.46 2.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.88 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.42 11.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.592 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -109.51 -18.25 13.56 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.836 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.796 ' O ' HD22 ' A' ' 94' ' ' LEU . . . 125.49 -106.16 0.87 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.552 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.938 ' HB3' HD12 ' A' ' 61' ' ' LEU . 3.0 mm? -135.73 133.15 37.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.841 0.353 . . . . 0.0 111.639 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -127.55 142.43 51.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.263 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.009 HD13 HD12 ' A' ' 53' ' ' ILE . 1.6 tt -127.75 129.32 46.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.777 0.322 . . . . 0.0 111.228 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.69 ' N ' HD23 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -124.75 119.26 28.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.844 0.354 . . . . 0.0 110.11 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.94 148.51 17.05 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.332 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 m -119.13 142.54 47.84 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 111.911 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.732 ' HB1' ' OG ' ' A' ' 81' ' ' SER . . . -140.75 133.29 28.6 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.472 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.817 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 7.5 ttt -124.58 146.0 49.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.54 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.514 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 110.61 80.97 1.17 Allowed Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.108 -1.044 . . . . 0.0 111.392 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.938 ' HA ' HG22 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -116.06 161.96 18.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.803 0.335 . . . . 0.0 111.589 -178.646 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 103' ' ' GLU . 3.9 tt0 92.81 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.179 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.693 ' HA ' HD11 ' A' ' 79' ' ' LEU . 7.3 tt -72.69 137.93 22.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.224 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -97.65 138.82 34.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.675 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.79 127.57 32.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.84 38.34 73.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.488 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.417 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 9.1 t-160 -83.53 102.6 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.777 0.323 . . . . 0.0 111.071 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 61.18 124.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.044 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -108.68 121.03 44.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.781 ' CD ' HG21 ' A' ' 38' ' ' THR . 0.0 OUTLIER -148.15 -179.39 6.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.522 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -89.75 127.46 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.717 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.547 ' HA ' HG12 ' A' ' 36' ' ' VAL . 1.4 mt-10 -121.66 143.79 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 115' ' ' VAL . 11.0 p -70.2 114.7 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.406 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -85.8 19.44 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.559 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.534 ' H ' HG22 ' A' ' 115' ' ' VAL . . . -161.22 90.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.724 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.454 HG13 HD13 ' A' ' 138' ' ' LEU . 85.1 t -90.26 109.09 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.823 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 137' ' ' ILE . 2.9 m -113.07 129.9 56.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.838 -178.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 28.3 p90 -74.1 65.44 1.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 178.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.703 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 1.3 t-80 -62.03 -44.08 97.46 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.538 ' SD ' HD13 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -121.67 -62.33 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.743 0.306 . . . . 0.0 110.427 179.794 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.512 ' CG ' HG22 ' A' ' 136' ' ' VAL . 25.0 mtt 47.7 51.83 13.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.23 0.538 . . . . 0.0 110.389 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.58 162.78 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.658 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.701 HG23 ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -116.97 119.07 60.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 111.605 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.631 HD21 ' HE1' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -103.53 136.46 43.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.772 178.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.9 OUTLIER -98.69 122.4 41.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.06 0.457 . . . . 0.0 111.828 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -124.68 119.65 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.473 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 59.06 22.19 10.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.24 0.79 73.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.052 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.1 OUTLIER -100.24 145.3 28.23 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.499 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.736 HD11 ' H ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.97 142.24 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.131 0.491 . . . . 0.0 111.814 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -133.96 137.61 44.94 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.923 178.119 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.587 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -110.21 137.93 47.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.575 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -140.07 121.57 15.15 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -179.028 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.953 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 96.7 t -130.46 115.11 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.425 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.878 ' C ' HD23 ' A' ' 138' ' ' LEU . 1.9 mp -82.65 133.07 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-O 121.234 0.54 . . . . 0.0 110.501 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.931 HD21 HG12 ' A' ' 136' ' ' VAL . 1.2 mt -125.04 151.87 45.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.063 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.494 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -83.81 112.6 20.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.294 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.485 HD23 HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.382 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.481 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.877 -0.089 . . . . 0.0 112.877 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 2.8 p90 -107.05 140.01 40.55 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.474 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.95 134.51 20.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.898 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.481 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 9.8 p90 -114.44 147.55 39.1 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 14' ' ' GLY . 1.3 p90 -108.81 140.03 42.82 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.393 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.34 103.96 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -106.51 150.82 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.237 177.46 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.628 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 92.6 m -88.33 108.93 19.59 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.699 -0.401 . . . . 0.0 109.958 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.628 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 105.39 -44.23 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.32 0.581 . . . . 0.0 109.774 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.814 ' HB2' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.67 168.39 12.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.335 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.732 ' C ' HD13 ' A' ' 137' ' ' ILE . . . -149.0 120.24 7.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.526 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.713 ' N ' HD13 ' A' ' 137' ' ' ILE . . . -115.06 127.84 7.84 Favored Glycine 0 CA--C 1.508 -0.359 0 C-N-CA 120.117 -1.04 . . . . 0.0 110.855 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.658 ' HD2' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.41 147.27 29.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.402 0.62 . . . . 0.0 111.387 -178.312 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CE2' ' HB3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -111.58 125.36 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.673 179.459 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -126.43 156.99 39.74 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.365 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.624 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -126.15 159.6 32.47 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.329 -178.244 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.79 ' CA ' HD11 ' A' ' 132' ' ' ILE . . . -118.35 -162.57 12.29 Favored Glycine 0 CA--C 1.476 -2.368 0 CA-C-O 123.142 1.412 . . . . 0.0 113.912 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.505 ' H ' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -140.19 4.47 2.03 Favored 'General case' 0 N--CA 1.407 -2.583 0 CA-C-N 111.343 -2.429 . . . . 0.0 109.061 -179.071 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -176.67 34.7 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.548 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.562 ' O ' HG12 ' A' ' 25' ' ' VAL . 4.9 mp 67.69 -57.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.76 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.601 ' HB2' HG22 ' A' ' 85' ' ' VAL . 8.9 pm0 -62.45 -31.42 72.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.187 0.518 . . . . 0.0 109.973 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.505 ' HB2' ' H ' ' A' ' 20' ' ' HIS . 59.7 mm-40 -58.43 -43.94 88.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.398 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 22' ' ' LEU . 4.0 p -73.5 -38.5 52.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.377 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.67 ' HE1' HD12 ' A' ' 125' ' ' ILE . 7.1 m-85 -55.11 -42.9 73.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 0.0 110.45 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.952 ' HG3' HG13 ' A' ' 85' ' ' VAL . 6.3 mt-10 -57.51 -36.78 71.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.166 0.508 . . . . 0.0 109.736 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.45 -27.06 63.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.078 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.84 -42.01 64.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -90.88 -21.83 21.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.96 -37.12 48.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.658 ' HB1' ' HD2' ' A' ' 15' ' ' PHE . . . -58.47 -48.64 80.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.776 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.549 ' HE3' HD22 ' A' ' 69' ' ' LEU . 2.7 ptt? -71.95 -35.78 69.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.01 -36.4 69.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.56 -32.82 70.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.643 HG12 ' HB2' ' A' ' 113' ' ' ASP . 21.1 t -87.89 -31.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.993 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.445 ' HG3' HG21 ' A' ' 115' ' ' VAL . 26.9 mtp -78.69 -30.17 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.42 HG21 ' CB ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -160.75 -168.81 2.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.6 98.39 5.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.652 HG22 ' HB2' ' A' ' 80' ' ' PHE . 1.7 p -71.98 -21.68 61.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.68 -22.46 1.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.733 0.301 . . . . 0.0 111.081 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mp -105.82 38.75 1.92 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.616 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.1 p -91.27 114.71 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.281 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 -7.01 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.302 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.73 103.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.94 -19.83 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.639 ' O ' ' HA ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -148.93 169.52 20.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.958 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -143.24 124.06 14.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 99' ' ' THR . 4.8 mmm180 -121.0 152.53 38.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.447 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -123.78 142.82 50.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.919 0.39 . . . . 0.0 111.168 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.512 HG11 ' HG2' ' A' ' 68' ' ' GLU . 21.5 t -133.05 148.8 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.678 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.86 142.2 51.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.715 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.81 152.2 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.83 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.576 HG22 ' NE2' ' A' ' 95' ' ' HIS . 17.4 p -121.64 114.27 20.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.45 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 94' ' ' LEU . 30.2 t -120.84 163.92 17.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.337 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -151.93 40.1 0.63 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.772 0.32 . . . . 0.0 111.323 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' VAL . 0.6 OUTLIER -175.95 19.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 62.94 -69.35 0.07 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.775 0.321 . . . . 0.0 111.067 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.893 ' HA ' HG22 ' A' ' 125' ' ' ILE . 11.9 p -54.19 -45.08 66.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.474 ' N ' HG13 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -57.9 -38.31 75.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.488 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.517 HD12 HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.08 -36.57 70.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.984 0.421 . . . . 0.0 109.954 179.331 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.406 HD23 ' HB ' ' A' ' 125' ' ' ILE . 0.1 OUTLIER -71.97 -43.64 64.84 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.073 179.069 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.4 -35.03 74.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.682 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.91 -24.39 23.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.36 -53.08 61.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 111.003 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 HG11 ' A' ' 136' ' ' VAL . 0.5 OUTLIER -72.91 -41.21 64.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -179.669 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -51.1 -33.14 24.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.132 0.492 . . . . 0.0 109.842 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.512 ' HG2' HG11 ' A' ' 51' ' ' VAL . 1.2 tp10 -68.67 -35.89 77.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.779 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.67 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -71.17 -31.76 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.52 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.51 HD21 HG23 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -56.88 -50.28 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.699 -179.629 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -52.18 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.872 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.575 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 tp -54.27 -33.84 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.718 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 77' ' ' PHE . 5.4 t-80 -49.97 -52.55 32.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.139 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.14 -30.25 63.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 0.0 110.286 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.1 m -64.17 -19.1 65.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 78' ' ' ILE . 1.0 OUTLIER -166.05 70.21 0.13 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.713 178.72 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.651 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -49.4 92.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.565 179.644 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.784 HG21 ' CB ' ' A' ' 103' ' ' GLU . 2.5 pt -112.04 124.16 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.29 0.567 . . . . 0.0 111.13 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.805 ' HG ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -49.91 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.558 -179.22 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.652 ' HB2' HG22 ' A' ' 40' ' ' THR . 30.6 p90 -122.17 141.94 50.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 111.447 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -154.25 161.95 41.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.9 144.55 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 69' ' ' LEU . 51.1 m-85 -124.94 123.36 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.311 0.577 . . . . 0.0 112.113 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.401 ' HG2' ' HB ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -126.7 115.85 20.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.981 178.641 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.952 HG13 ' HG3' ' A' ' 27' ' ' GLU . 1.2 m -110.14 149.71 13.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.431 0.634 . . . . 0.0 111.24 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 97' ' ' THR . 5.1 tttp -127.79 119.13 25.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.672 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.677 ' CG2' HD21 ' A' ' 94' ' ' LEU . 6.5 mt -109.8 124.29 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.013 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.3 123.8 26.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.727 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -77.22 114.58 16.18 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.543 ' C ' ' H ' ' A' ' 92' ' ' ASP . 6.7 mmtp -75.12 -169.56 0.97 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.761 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.65 5.75 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER 171.23 -33.27 0.0 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.812 0.339 . . . . 0.0 110.357 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.65 -151.91 27.32 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.756 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.677 HD21 ' CG2' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -135.99 133.89 37.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.852 0.358 . . . . 0.0 111.8 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.576 ' NE2' HG22 ' A' ' 54' ' ' THR . 1.0 OUTLIER -127.26 120.65 29.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.942 178.835 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.715 HD22 ' CD1' ' A' ' 53' ' ' ILE . 9.8 tt -109.55 139.93 43.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.496 . . . . 0.0 111.802 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -123.11 119.26 29.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.782 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' A' ' 85' ' ' VAL . . . -118.6 148.48 18.42 Favored Glycine 0 C--N 1.32 -0.314 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.37 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 3.3 m -129.59 142.44 50.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.561 0.22 . . . . 0.0 111.242 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.93 131.66 35.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.066 0.46 . . . . 0.0 111.414 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 4.1 ptt? -131.82 155.74 47.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.599 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.02 34.75 7.45 Favored Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.357 -0.925 . . . . 0.0 111.235 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.784 ' CB ' HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -94.5 116.27 28.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.29 -0.455 . . . . 0.0 111.302 -178.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -179.78 98.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.367 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.805 HD12 ' HG ' ' A' ' 79' ' ' LEU . 7.3 tp -72.54 130.91 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.184 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.01 156.24 22.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -30.3 64.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -115.77 58.46 0.46 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.421 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.66 ' CB ' HD23 ' A' ' 79' ' ' LEU . 38.3 p-80 -59.29 141.91 53.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 0.0 110.771 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 38' ' ' THR . 0.7 OUTLIER -57.53 120.72 8.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -108.78 102.62 11.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -95.69 -72.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.643 ' HB2' HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -113.1 159.15 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.758 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.73 103.7 16.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.401 . . . . 0.0 111.097 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.477 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . 24.0 t -111.46 109.74 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.668 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -65.27 -26.87 68.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.347 -179.67 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.09 -172.63 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.925 0.393 . . . . 0.0 111.36 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.966 HG12 HD12 ' A' ' 138' ' ' LEU . 4.1 m -118.35 113.22 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.607 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.7 m -115.09 104.54 11.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 111.561 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -37.81 101.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.534 179.3 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.686 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 20.1 t-160 -55.13 -37.43 66.9 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 122.447 1.118 . . . . 0.0 108.634 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.406 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 178.61 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 112.922 -1.945 . . . . 0.0 107.845 -179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.448 ' SD ' HD13 ' A' ' 66' ' ' LEU . 3.1 mtm 54.13 56.0 7.56 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.176 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.686 ' HA ' HG23 ' A' ' 59' ' ' VAL . 29.0 mt-10 -117.52 134.39 54.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.131 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.893 HG22 ' HA ' ' A' ' 59' ' ' VAL . 9.6 tt -96.29 112.27 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.009 0.433 . . . . 0.0 110.928 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 126' ' ' LEU . 3.5 mm? -104.63 136.38 44.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.195 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.602 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 13.5 p-10 -106.73 121.84 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.061 0.458 . . . . 0.0 111.274 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.85 127.19 46.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.55 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 57.75 21.44 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 111.084 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 90.98 0.51 74.45 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.694 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.8 OUTLIER -98.61 145.69 26.59 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.896 ' H ' HD13 ' A' ' 132' ' ' ILE . 0.2 OUTLIER -100.56 143.23 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 CA-C-O 120.802 0.334 . . . . 0.0 111.867 -179.347 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -134.68 136.13 42.54 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.062 177.497 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -125.38 138.46 54.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.585 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.457 ' HB3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -116.77 119.91 36.9 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.699 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.777 HG11 HD11 ' A' ' 66' ' ' LEU . 23.2 t -130.44 116.5 35.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.845 ' O ' HD13 ' A' ' 138' ' ' LEU . 0.8 OUTLIER -85.28 140.41 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.152 0.981 . . . . 0.0 110.523 177.68 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.966 HD12 HG12 ' A' ' 118' ' ' VAL . 0.9 OUTLIER -128.64 151.88 49.0 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.983 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -81.38 112.1 18.35 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.298 -177.664 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' A' ' 13' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.657 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.688 -0.165 . . . . 0.0 112.688 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.571 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 14.0 p90 -141.9 139.56 32.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.76 0.314 . . . . 0.0 110.732 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -147.42 130.53 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.652 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 12.4 p90 -111.75 147.14 36.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.937 0.399 . . . . 0.0 111.634 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.0 140.22 42.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.111 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.98 107.37 5.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -106.32 151.08 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.908 178.393 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.627 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 91.3 m -90.23 104.94 17.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.203 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 109.7 -46.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.591 0.71 . . . . 0.0 109.581 -178.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.756 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -119.37 169.6 9.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.87 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 138' ' ' LEU . . . -146.17 121.37 10.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.445 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.962 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -117.77 137.06 12.9 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.086 -1.054 . . . . 0.0 112.946 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.545 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.22 155.39 19.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.587 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.571 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -111.31 140.81 45.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.28 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.91 ' HB1' ' HB3' ' A' ' 28' ' ' ASN . . . -119.76 136.82 54.29 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.541 0.686 . . . . 0.0 110.036 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.473 ' CE1' ' HG2' ' A' ' 133' ' ' LYS . 47.1 m-85 -112.97 152.27 29.59 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.942 -177.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.577 ' N ' HG13 ' A' ' 25' ' ' VAL . . . -129.77 -172.48 13.16 Favored Glycine 0 CA--C 1.473 -2.591 0 CA-C-O 122.918 1.288 . . . . 0.0 113.625 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -147.77 0.07 0.64 Allowed 'General case' 0 N--CA 1.408 -2.572 0 CA-C-N 111.809 -2.195 . . . . 0.0 110.47 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 4.5 t70 -178.73 34.36 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.769 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.1 mt 72.5 -57.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.001 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.0 mt-10 -57.51 -31.33 65.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.365 0.602 . . . . 0.0 110.386 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 1.8 mm-40 -66.58 -47.28 73.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.043 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.67 HG11 ' HB ' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -62.71 -52.24 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.669 -179.366 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' HB2' HG21 ' A' ' 85' ' ' VAL . 50.5 m-85 -49.86 -37.58 31.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.237 0.541 . . . . 0.0 110.173 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -69.86 -40.89 75.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.665 179.004 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.91 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 11.9 t-20 -70.65 -27.34 63.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.103 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' HB3' ' HE1' ' A' ' 65' ' ' TRP . . . -52.77 -49.41 65.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.385 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.443 ' HB1' ' CZ ' ' A' ' 83' ' ' PHE . . . -73.02 -27.76 61.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.908 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' HA ' ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -54.95 -31.34 60.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.403 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -68.72 -53.51 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 0.0 111.356 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.662 ' SD ' HD21 ' A' ' 66' ' ' LEU . 22.4 ptm -72.16 -41.49 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.131 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.914 ' CD2' HG21 ' A' ' 40' ' ' THR . 0.0 OUTLIER -66.55 -33.14 75.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.582 0.229 . . . . 0.0 111.552 -178.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.489 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -65.62 -30.83 71.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 m -99.74 -36.62 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.456 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.694 ' O ' HG23 ' A' ' 38' ' ' THR . 1.6 mmt -54.49 -22.84 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.393 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 37' ' ' MET . 0.2 OUTLIER 176.8 170.21 0.5 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.881 0.372 . . . . 0.0 111.091 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -96.85 87.74 4.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.615 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.914 HG21 ' CD2' ' A' ' 34' ' ' PHE . 1.7 p -71.97 -21.56 61.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.428 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.541 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 1.2 m -62.22 76.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.74 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER 170.93 -8.39 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.744 179.327 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.682 HG23 HD22 ' A' ' 42' ' ' LEU . 16.7 t -116.72 134.91 58.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.809 0.338 . . . . 0.0 110.74 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -79.04 -81.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.468 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 178.47 101.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.983 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.68 -2.68 26.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.22 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 103' ' ' GLU . 9.6 tp10 -149.49 168.47 23.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -178.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.05 141.3 31.27 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.976 0.417 . . . . 0.0 111.214 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.3 mmm180 -141.33 141.79 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.201 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -118.99 142.95 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 0.0 111.258 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.7 t -132.21 143.72 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.75 139.38 53.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.03 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.82 HD12 HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -139.72 151.94 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.079 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 m -122.09 114.44 20.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.782 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.634 ' HB3' HD23 ' A' ' 61' ' ' LEU . 15.1 t -120.79 163.88 17.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.321 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -141.58 29.94 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.636 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' VAL . 11.2 t70 -175.45 26.43 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.427 ' C ' HD11 ' A' ' 125' ' ' ILE . 1.4 mtm105 63.84 -67.39 0.1 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.834 0.35 . . . . 0.0 111.538 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 125' ' ' ILE . 25.0 m -54.04 -42.11 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.759 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -56.26 -40.21 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.884 -179.822 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.82 HD11 HD12 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -54.09 -52.88 59.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.799 0.333 . . . . 0.0 110.106 179.349 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.997 HD23 HG23 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -52.58 -41.71 63.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.048 0.452 . . . . 0.0 110.022 179.104 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -55.7 -35.1 65.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.374 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -97.3 -26.29 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.307 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.583 ' HE3' HD11 ' A' ' 53' ' ' ILE . 24.7 t-105 -59.15 -53.05 62.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.952 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.662 HD21 ' SD ' ' A' ' 33' ' ' MET . 0.4 OUTLIER -71.53 -45.05 63.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.33 -33.22 28.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.184 0.516 . . . . 0.0 109.61 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.57 -37.59 82.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.726 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' HA ' HG22 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -70.0 -31.93 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.565 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -58.23 -50.97 71.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.595 -179.512 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -52.14 20.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.867 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -53.91 -34.56 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.763 -179.435 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.414 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -50.33 -52.8 33.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.118 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -29.32 62.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.319 . . . . 0.0 110.318 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -63.66 -17.66 63.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.866 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -168.7 65.25 0.06 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.067 178.784 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.648 ' O ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -55.24 94.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.038 179.14 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 76' ' ' GLU . 12.6 pt -111.77 144.21 20.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.638 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.865 HD11 ' HA ' ' A' ' 109' ' ' HIS . 0.2 OUTLIER -62.64 -45.13 94.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.135 -179.115 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.524 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -119.78 144.77 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.166 0.508 . . . . 0.0 111.693 -178.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.4 t -154.32 130.51 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.894 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -91.04 150.61 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CZ ' ' HB1' ' A' ' 30' ' ' ALA . 25.8 m-85 -123.67 122.52 38.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.721 0.772 . . . . 0.0 112.403 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.54 115.27 15.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 177.68 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.529 HG11 ' N ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -110.42 148.89 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.957 0.884 . . . . 0.0 112.749 -177.825 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 97' ' ' THR . 4.4 tptm -130.38 139.61 50.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.332 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.505 HG13 ' HG3' ' A' ' 23' ' ' GLU . 96.2 mt -123.97 124.04 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.315 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -133.42 122.8 24.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.562 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -98.09 114.09 26.17 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.416 0.627 . . . . 0.0 109.706 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -120.67 -169.42 1.81 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.43 -179.443 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.12 8.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.773 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -121.21 39.71 3.76 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.475 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.36 -104.0 2.0 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.224 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.758 HD12 ' N ' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -136.44 141.22 43.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.6 0.238 . . . . 0.0 110.52 179.4 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.758 ' N ' HD12 ' A' ' 94' ' ' LEU . 16.6 t-80 -127.58 143.88 51.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.807 HD13 ' CD1' ' A' ' 61' ' ' LEU . 9.4 tt -121.41 138.46 54.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.656 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.19 119.68 30.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.417 179.373 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -121.14 148.38 17.45 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.349 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -123.84 142.8 50.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.801 0.334 . . . . 0.0 111.54 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 49' ' ' ARG . . . -134.27 132.76 40.01 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.078 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.516 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.53 154.96 47.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.037 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.726 ' O ' HD12 ' A' ' 78' ' ' ILE . . . 104.88 60.52 0.65 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.859 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.4 tt0 -94.91 115.67 27.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.657 0.265 . . . . 0.0 110.874 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 1.3 tt0 168.41 98.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.648 HD13 ' O ' ' A' ' 77' ' ' PHE . 10.9 tp -86.89 127.63 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.738 ' H ' HD12 ' A' ' 79' ' ' LEU . 4.9 tttt -92.93 157.16 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.119 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.15 -54.97 40.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.12 57.38 3.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.315 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.865 ' HA ' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.27 106.72 0.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.949 0.405 . . . . 0.0 111.046 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 38' ' ' THR . 54.0 mt-10 -58.44 121.46 10.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -108.76 132.26 54.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.24 -76.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.02 159.06 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -116.78 110.92 19.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.418 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.829 ' HA ' ' OXT' ' A' ' 140' ' ' LEU . 12.7 p -111.13 112.25 39.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.351 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 140' ' ' LEU . 12.5 ptmt -63.47 -24.01 67.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.782 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.28 170.18 3.12 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 70' ' ' LEU . 8.0 p -117.89 108.88 25.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.591 178.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 121' ' ' HIS . 38.3 m -115.1 130.65 56.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.443 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 119' ' ' THR . 7.8 p90 -28.88 86.04 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.557 0.694 . . . . 0.0 111.336 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.913 ' NE2' HG13 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -77.19 -44.99 28.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.366 -178.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.516 ' HB3' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 171.56 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.804 ' HG2' HD12 ' A' ' 62' ' ' LEU . 6.5 ttm 43.8 63.14 1.68 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.728 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -141.48 143.52 33.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.104 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.997 HG23 HD23 ' A' ' 62' ' ' LEU . 5.8 pt -96.46 113.44 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 111.466 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.725 HD13 ' N ' ' A' ' 127' ' ' ASP . 0.4 OUTLIER -103.36 136.38 43.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.961 179.328 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.725 ' N ' HD13 ' A' ' 126' ' ' LEU . 2.0 p30 -101.39 122.5 43.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.1 0.476 . . . . 0.0 111.915 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -124.55 127.26 47.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.463 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 t0 59.27 20.32 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.985 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.07 0.64 73.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.053 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 13.6 mt -100.26 145.18 28.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.67 ' HB ' HG11 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -100.9 136.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.943 0.401 . . . . 0.0 111.925 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -134.31 137.07 43.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.198 178.15 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . . . -113.48 148.98 34.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.729 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD2' ' HB3' ' A' ' 122' ' ' MET . 0.0 OUTLIER -128.38 120.32 26.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.962 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 15.6 t -130.97 114.06 26.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.499 176.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.802 ' C ' HD23 ' A' ' 138' ' ' LEU . 0.2 OUTLIER -106.83 115.57 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.43 1.492 . . . . 0.0 109.567 177.536 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.928 HD21 HG12 ' A' ' 136' ' ' VAL . 1.1 mt -105.32 152.89 22.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.161 0.505 . . . . 0.0 112.204 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.85 112.86 19.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.0 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.829 ' OXT' ' HA ' ' A' ' 115' ' ' VAL . 9.1 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.631 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.709 -0.156 . . . . 0.0 112.709 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -104.48 140.01 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.372 . . . . 0.0 111.048 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -146.49 144.37 29.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.236 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.472 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 7.3 p90 -114.37 147.6 38.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.98 0.419 . . . . 0.0 111.958 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CE1' ' HA3' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -108.88 140.11 42.81 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.623 178.793 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -77.84 100.03 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.741 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.3 t -106.67 151.04 8.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.733 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.626 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.7 m -94.74 106.25 18.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.096 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.626 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 110.52 -43.59 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.433 0.635 . . . . 0.0 109.446 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.797 ' HB2' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.86 168.64 12.49 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.211 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.683 ' C ' HD13 ' A' ' 137' ' ' ILE . . . -147.96 120.09 8.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.427 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.718 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -116.51 136.31 12.72 Favored Glycine 0 CA--C 1.507 -0.419 0 C-N-CA 120.096 -1.049 . . . . 0.0 111.353 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.769 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -105.94 147.99 28.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.094 0.473 . . . . 0.0 110.589 -179.504 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.489 ' HA ' ' O ' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -120.25 125.3 47.76 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.975 179.538 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -123.19 149.69 44.32 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.151 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.586 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -113.16 146.83 38.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.769 -178.133 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.695 ' N ' HG13 ' A' ' 25' ' ' VAL . . . -108.31 -166.96 21.21 Favored Glycine 0 CA--C 1.472 -2.611 0 CA-C-O 123.212 1.451 . . . . 0.0 114.155 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.479 ' CG ' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -145.76 6.19 1.05 Allowed 'General case' 0 N--CA 1.406 -2.633 0 CA-C-N 111.218 -2.491 . . . . 0.0 109.481 -179.052 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -177.46 27.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.293 -179.757 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.606 HD23 HG21 ' A' ' 132' ' ' ILE . 4.8 mt 74.48 -55.83 0.65 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.642 0.377 . . . . 0.0 111.455 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.568 ' HB2' HG22 ' A' ' 85' ' ' VAL . 12.2 pm0 -62.81 -31.39 72.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.368 0.604 . . . . 0.0 109.513 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HG3' ' CG ' ' A' ' 20' ' ' HIS . 3.5 mm-40 -57.43 -40.98 79.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.787 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.695 HG13 ' N ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -72.54 -44.59 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.276 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.905 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 11.5 m-85 -49.96 -45.68 51.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.914 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.798 ' CG ' HG13 ' A' ' 85' ' ' VAL . 89.2 mt-10 -54.92 -44.88 74.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.64 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -70.15 -27.45 64.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.181 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 26' ' ' PHE . . . -52.98 -25.21 11.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.353 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.74 -27.22 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD12 ' HG3' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -66.51 -42.27 87.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.769 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -52.33 -51.3 59.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.409 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.2 ttp -69.89 -47.49 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.782 ' CD2' HG21 ' A' ' 40' ' ' THR . 0.0 OUTLIER -60.62 -33.49 72.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.874 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' HG3' HD12 ' A' ' 31' ' ' LEU . 1.5 mm-40 -60.64 -39.03 86.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.721 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -85.89 -41.47 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -23.88 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 t 171.57 148.47 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.738 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -72.94 87.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.734 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.782 HG21 ' CD2' ' A' ' 34' ' ' PHE . 18.6 p -68.89 -27.91 66.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -51.91 -20.01 2.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.656 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -8.48 55.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.657 0.265 . . . . 0.0 111.406 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 80' ' ' PHE . 40.9 t -118.84 135.12 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.465 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 6.0 mm-40 -79.81 -80.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.698 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 44' ' ' GLU . . . 174.11 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.535 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -97.69 -29.79 13.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.07 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.5 mm-40 -134.51 170.18 16.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.352 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -142.28 127.84 19.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.886 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.709 ' HD2' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -130.93 150.16 52.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.255 179.663 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -115.68 142.95 46.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.112 0.482 . . . . 0.0 111.298 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.2 t -125.95 149.09 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.457 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.24 143.52 50.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.191 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.793 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.53 152.05 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.918 0.39 . . . . 0.0 111.616 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -119.46 114.53 22.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.328 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.8 t -120.58 163.51 17.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.176 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HG2' ' HA2' ' A' ' 93' ' ' GLY . 16.8 mt-10 -152.74 23.55 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.759 0.314 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.8 t0 -164.11 16.29 0.06 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.995 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 2.3 ttp-105 64.86 -65.79 0.14 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 111.326 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.928 HG23 ' CB ' ' A' ' 124' ' ' GLU . 7.4 p -54.21 -47.13 68.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.867 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.489 ' N ' HG13 ' A' ' 59' ' ' VAL . 1.4 m -57.45 -34.88 69.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.421 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.048 HD11 HD13 ' A' ' 96' ' ' LEU . 2.7 tm? -54.01 -51.24 64.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 110.652 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.672 HD22 ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -57.17 -37.91 72.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.121 0.486 . . . . 0.0 110.348 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -60.5 -35.1 75.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.208 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -98.84 -22.15 15.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.599 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.525 ' CE3' HD11 ' A' ' 53' ' ' ILE . 6.5 t-105 -62.85 -53.42 54.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.772 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -73.13 -42.44 62.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -34.14 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.141 0.496 . . . . 0.0 109.725 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.16 -45.54 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.903 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD13 HD11 ' A' ' 72' ' ' ILE . 2.9 mm? -72.18 -32.02 66.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.904 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.126 HD21 HG21 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -63.61 -52.33 61.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.735 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.921 ' O ' HG23 ' A' ' 75' ' ' THR . 1.0 OUTLIER -57.16 -52.45 65.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.677 -179.157 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 73' ' ' HIS . 2.1 pp -64.34 -44.32 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 111.768 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.503 ' N ' HD12 ' A' ' 72' ' ' ILE . 36.1 m170 -52.36 -48.31 65.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.944 0.402 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -29.1 62.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.412 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.921 HG23 ' O ' ' A' ' 71' ' ' PHE . 68.8 p -64.14 -2.24 1.96 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.688 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 75' ' ' THR . 1.5 tp10 80.18 43.8 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.203 0.525 . . . . 0.0 110.213 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.422 ' CD2' ' HB ' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -84.73 -77.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.867 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.536 ' H ' HD13 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -131.65 152.45 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.817 -178.724 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.706 HD22 ' HB3' ' A' ' 109' ' ' HIS . 7.0 tp -88.38 -39.85 13.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.101 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -119.83 144.49 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.855 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.45 130.48 10.24 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.204 -0.599 . . . . 0.0 112.185 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -85.88 128.53 34.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.631 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -105.23 122.66 46.4 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.568 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.1 114.71 14.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.231 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.798 HG13 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -111.9 150.07 14.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.497 0.665 . . . . 0.0 111.84 -177.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.651 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.4 OUTLIER -126.59 118.99 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.682 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 22' ' ' LEU . 4.5 mt -107.63 144.64 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.389 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 12.1 m-20 -131.93 121.23 23.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.021 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.75 113.04 26.37 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.807 0.813 . . . . 0.0 111.018 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.819 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -132.28 -167.95 1.97 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.323 -1.308 . . . . 0.0 108.676 179.139 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 90' ' ' LYS . 70.4 m-20 -4.13 -45.74 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.819 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER 167.31 -36.66 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.795 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.431 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -86.87 100.13 2.53 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.566 HD23 ' H ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -94.22 127.48 40.1 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.186 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -100.36 143.73 30.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.136 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.048 HD13 HD11 ' A' ' 61' ' ' LEU . 10.4 tt -110.2 141.66 42.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.651 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -119.34 119.21 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.39 178.431 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.568 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -122.65 148.82 16.93 Favored Glycine 0 C--N 1.32 -0.338 0 C-N-CA 120.926 -0.654 . . . . 0.0 114.104 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -118.79 142.7 47.47 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.463 0.305 . . . . 0.0 111.43 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.709 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . . . -135.21 132.7 38.22 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.066 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.566 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 5.4 ptm -130.64 155.36 46.69 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.062 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.541 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 97.35 55.26 1.19 Allowed Glycine 0 C--N 1.335 0.492 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.649 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.531 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.1 tt0 -92.77 115.93 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.055 0.455 . . . . 0.0 111.486 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 173.61 65.53 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.535 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.849 HD13 ' N ' ' A' ' 106' ' ' LYS . 0.2 OUTLIER -72.71 135.9 26.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.114 -179.821 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.849 ' N ' HD13 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -122.44 142.33 50.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.573 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.09 106.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.29 38.55 95.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.216 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.706 ' HB3' HD22 ' A' ' 79' ' ' LEU . 1.1 t-160 -76.48 108.11 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.242 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 60.75 115.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -108.72 137.51 46.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 -67.17 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.749 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -128.32 145.17 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -120.97 103.68 9.23 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.329 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.3 m -97.41 122.27 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.784 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -67.12 -8.68 32.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.164 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . -179.75 167.17 1.36 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.959 0.409 . . . . 0.0 111.96 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 1.126 HG21 HD21 ' A' ' 70' ' ' LEU . 70.3 t -118.21 108.75 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.592 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 137' ' ' ILE . 11.6 m -115.53 104.36 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.323 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.548 ' HB3' ' HE3' ' A' ' 123' ' ' MET . 10.0 p90 -42.48 110.91 0.2 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.668 ' H ' ' H ' ' A' ' 137' ' ' ILE . 2.5 t60 -55.23 -42.58 73.61 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.85 1.31 . . . . 0.0 108.159 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.423 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 31.6 tpp -165.64 -35.39 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 112.141 -2.3 . . . . 0.0 107.264 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.621 ' HG2' HG22 ' A' ' 136' ' ' VAL . 12.2 mtt 51.55 70.96 0.48 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.819 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.928 ' CB ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -157.99 146.64 19.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.316 -179.238 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 75.4 mt -96.5 114.06 32.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.23 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -103.15 136.41 42.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.529 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.7 OUTLIER -96.59 121.8 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.613 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.424 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 2.8 pp20? -125.24 126.82 45.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.065 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 t70 60.03 20.52 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 87.99 0.51 83.24 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -97.53 146.24 25.45 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.619 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.606 HG21 HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -99.96 135.81 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.214 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 24.4 mtpp -134.31 136.66 43.65 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.914 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -117.43 144.09 45.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.225 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.423 ' HD2' ' CB ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -130.26 121.74 26.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -178.424 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.772 HG11 ' CD1' ' A' ' 66' ' ' LEU . 18.6 t -130.09 116.26 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.946 ' C ' HD22 ' A' ' 138' ' ' LEU . 0.7 OUTLIER -85.7 141.55 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.8 1.24 . . . . 0.0 110.228 177.436 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.946 HD22 ' C ' ' A' ' 137' ' ' ILE . 2.6 mm? -128.76 150.89 50.1 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.701 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -82.54 136.91 34.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.479 0.656 . . . . 0.0 112.057 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.922 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.9 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 120.372 -0.127 . . . . 0.0 113.166 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 15.0 p90 -142.02 139.6 32.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.956 0.378 . . . . 0.0 111.263 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -147.22 135.16 21.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.307 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.483 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 6.6 p90 -114.55 147.31 39.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 112.117 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.458 ' CE2' ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -109.16 140.22 43.03 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.638 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -84.02 104.07 13.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.0 OUTLIER -106.45 150.89 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.608 177.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.63 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.1 m -88.03 110.86 20.93 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.63 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 104.73 -44.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.405 0.622 . . . . 0.0 109.329 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.76 ' HB2' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.88 168.25 13.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.916 179.542 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.672 ' C ' HD13 ' A' ' 137' ' ' ILE . . . -148.75 120.5 8.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.221 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.762 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -110.38 136.24 13.45 Favored Glycine 0 CA--C 1.505 -0.558 0 C-N-CA 119.677 -1.249 . . . . 0.0 111.582 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.735 ' CZ ' HG21 ' A' ' 36' ' ' VAL . 2.4 m-85 -105.75 157.4 17.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.169 0.509 . . . . 0.0 110.604 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 28.8 m95 -111.44 131.59 55.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.698 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.717 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.37 149.2 42.23 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-O 121.3 0.571 . . . . 0.0 109.788 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -112.43 159.34 18.84 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.471 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.578 ' CA ' HG13 ' A' ' 25' ' ' VAL . . . -112.16 -174.42 19.54 Favored Glycine 0 CA--C 1.489 -1.537 0 CA-C-O 122.623 1.124 . . . . 0.0 114.652 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -150.62 1.75 0.45 Allowed 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 112.393 -1.903 . . . . 0.0 110.389 -178.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 0.7 OUTLIER 165.29 37.4 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.224 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.0 HD22 HD12 ' A' ' 132' ' ' ILE . 2.9 mm? 71.66 -54.96 0.67 Allowed 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.379 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.769 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -54.86 -42.64 72.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.083 0.468 . . . . 0.0 110.121 179.187 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 1.9 tp10 -53.35 -47.6 69.24 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.578 HG13 ' CA ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -62.56 -40.3 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.723 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.942 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 60.5 m-85 -54.48 -54.18 44.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.685 0.279 . . . . 0.0 111.727 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.705 ' CG ' HG12 ' A' ' 85' ' ' VAL . 1.1 mm-40 -70.34 -32.86 70.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.767 0.317 . . . . 0.0 110.585 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.534 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 35.5 t-20 -60.86 -28.28 68.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -45.98 77.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.726 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.01 -27.65 67.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.72 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -58.14 -56.71 18.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.223 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.528 ' HB1' ' CB ' ' A' ' 15' ' ' PHE . . . -55.25 -41.3 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.347 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.8 -48.66 44.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.291 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.456 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 4.7 m-85 -65.55 -42.33 91.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HG3' HD23 ' A' ' 31' ' ' LEU . 2.1 mt-10 -53.49 -30.76 42.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.735 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 21.6 t -95.51 -39.86 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.232 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.651 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -58.79 -37.86 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 37' ' ' MET . 0.1 OUTLIER 179.09 -172.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.982 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.17 146.78 43.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -58.12 -41.02 82.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.411 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.673 ' CB ' HD13 ' A' ' 42' ' ' LEU . 15.9 t 68.95 -62.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.562 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.673 HD13 ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -149.87 34.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.628 0.252 . . . . 0.0 111.609 -179.791 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 40' ' ' THR . 13.2 t -91.34 113.83 27.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 44.6 mm-40 -94.06 16.47 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.376 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . 79.25 75.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 110.816 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.36 -44.97 20.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.313 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.568 ' O ' ' HA ' ' A' ' 101' ' ' MET . 14.6 mm-40 -114.29 170.75 8.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.088 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.76 141.02 33.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.704 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.647 ' HD2' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -137.4 122.99 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -106.26 142.83 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.742 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 97' ' ' THR . 23.8 t -130.43 146.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.75 133.65 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.695 HD11 ' CE3' ' A' ' 65' ' ' TRP . 0.3 OUTLIER -139.85 147.47 23.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.391 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.53 HG22 ' ND1' ' A' ' 95' ' ' HIS . 10.4 p -122.53 112.63 18.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.992 0.425 . . . . 0.0 110.839 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.595 ' HB3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.58 163.86 19.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.655 178.167 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -140.45 56.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.462 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.8 t0 -179.47 22.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? 60.85 -74.32 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.754 0.312 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' ASP . 33.7 m -54.23 -41.81 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -56.34 -41.22 75.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.159 179.455 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.942 HD23 ' CZ ' ' A' ' 26' ' ' PHE . 15.3 tp -53.94 -35.27 61.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.779 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.98 HD23 HG23 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -72.58 -48.56 38.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.254 179.038 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -55.37 -39.0 69.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.317 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.92 -15.0 40.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.413 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.695 ' CE3' HD11 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -72.88 -53.15 12.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.834 0.349 . . . . 0.0 111.235 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.707 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.6 OUTLIER -70.96 -42.48 69.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.112 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -33.28 20.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.183 0.516 . . . . 0.0 109.888 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.3 tp10 -67.72 -38.87 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.639 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.8 -31.85 73.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.522 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.413 HD21 HG13 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -53.52 -52.55 59.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.949 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -71.46 -44.07 65.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 68' ' ' GLU . 18.6 mt -59.48 -34.49 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.231 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -50.27 -52.95 32.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.197 -179.563 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.57 -32.49 64.17 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.805 0.336 . . . . 0.0 110.231 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.4 m -64.15 -18.68 64.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 78' ' ' ILE . 2.9 mt-10 -164.31 72.32 0.23 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.845 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.611 ' CD1' HG21 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -58.77 92.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.503 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.509 ' CG2' ' HA ' ' A' ' 103' ' ' GLU . 1.1 pt -112.98 138.0 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.841 HD21 ' HB2' ' A' ' 109' ' ' HIS . 88.4 mt -54.58 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 34' ' ' PHE . 9.9 t80 -126.28 155.39 42.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.416 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' A' ' 101' ' ' MET . 2.0 t -154.21 163.51 40.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.436 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -80.12 138.27 36.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.054 0.454 . . . . 0.0 110.094 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.586 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 51.2 m-85 -105.57 122.52 46.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 112.877 -177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.4 ' HG2' ' CB ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -132.39 125.38 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.063 177.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.769 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -126.38 150.31 31.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.997 0.903 . . . . 0.0 112.755 -177.698 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -127.85 139.75 52.44 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 113.923 -1.49 . . . . 0.0 110.71 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.4 HG13 ' CG ' ' A' ' 23' ' ' GLU . 12.8 mt -126.26 123.58 63.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.369 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -133.71 122.65 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.387 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.23 113.84 25.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.394 0.616 . . . . 0.0 109.791 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -120.16 -169.49 1.8 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.392 -179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.19 9.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.679 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 90' ' ' LYS . 3.3 m-20 -123.81 39.16 4.03 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.132 0.491 . . . . 0.0 109.885 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.64 -102.77 2.02 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.783 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.939 HD12 ' N ' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -136.58 146.93 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.939 ' N ' HD12 ' A' ' 94' ' ' LEU . 7.5 t60 -127.05 143.98 51.15 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.739 0.304 . . . . 0.0 111.579 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 61' ' ' LEU . 6.9 tt -121.39 136.19 54.99 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.349 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.652 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.97 119.71 29.52 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 178.182 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -122.58 148.65 16.94 Favored Glycine 0 C--N 1.315 -0.583 0 C-N-CA 121.083 -0.579 . . . . 0.0 113.789 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.4 ' CB ' ' HG2' ' A' ' 84' ' ' LYS . 3.2 m -128.33 142.67 51.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.814 0.34 . . . . 0.0 111.592 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.647 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . . . -140.2 132.29 27.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.72 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.568 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.98 155.03 47.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.925 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.429 ' CA ' ' HA ' ' A' ' 45' ' ' ALA . . . 104.41 54.11 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.279 -0.963 . . . . 0.0 111.539 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.526 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.3 tt0 -99.5 118.16 35.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.891 0.377 . . . . 0.0 111.24 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 177.84 82.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.058 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.611 HG21 ' CD1' ' A' ' 77' ' ' PHE . 1.1 tt -72.53 138.09 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.802 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -112.68 144.03 42.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.688 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.14 -49.16 33.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.952 0.406 . . . . 0.0 110.553 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -96.26 55.86 1.5 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.63 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.841 ' HB2' HD21 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.03 152.31 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 111.321 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 38' ' ' THR . 8.9 tp10 -66.54 132.92 49.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.416 ' HD2' ' CE1' ' A' ' 109' ' ' HIS . 0.7 OUTLIER -108.61 137.12 47.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -63.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.738 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.23 149.67 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -86.47 104.08 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 115' ' ' VAL . 14.8 p -108.18 113.09 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -65.53 -25.33 67.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.142 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 174.69 -177.23 0.09 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.946 0.403 . . . . 0.0 111.671 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.897 HG23 ' CD1' ' A' ' 138' ' ' LEU . 2.7 p -117.33 110.05 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.614 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.3 m -115.25 104.51 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.328 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 34.6 p90 -40.95 106.85 0.06 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.362 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.678 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 4.5 t60 -55.24 -38.45 68.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 122.866 1.317 . . . . 0.0 108.02 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.48 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -176.96 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 112.056 -2.338 . . . . 0.0 106.975 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.668 ' HG3' HG22 ' A' ' 136' ' ' VAL . 0.8 OUTLIER 51.33 62.84 2.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.141 178.402 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -133.33 142.99 48.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.037 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.98 HG23 HD23 ' A' ' 62' ' ' LEU . 4.1 pt -96.41 113.16 30.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.99 136.46 42.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.18 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 1.5 m-20 -97.91 122.45 41.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.003 0.43 . . . . 0.0 111.811 -178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.55 118.35 26.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.448 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.95 23.6 13.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.42 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.38 0.74 72.85 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.533 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.543 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 12.8 mt -101.99 145.73 28.87 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 1.0 HD12 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.6 136.55 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.883 -179.256 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.717 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 4.2 mttp -134.15 137.41 44.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.412 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -115.58 148.3 39.74 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.277 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HD2' ' CB ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -125.71 120.17 29.94 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -179.175 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.762 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 11.1 t -130.43 116.81 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.938 ' C ' HD22 ' A' ' 138' ' ' LEU . 0.8 OUTLIER -85.86 140.82 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.364 1.066 . . . . 0.0 110.069 177.082 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.938 HD22 ' C ' ' A' ' 137' ' ' ILE . 2.4 mm? -131.04 151.94 50.88 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.919 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 115' ' ' VAL . 0.7 OUTLIER -81.79 112.21 18.73 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.627 -177.188 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.491 ' HB3' ' HA ' ' A' ' 115' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.536 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.91 0.386 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -65.61 -50.62 64.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.88 8.26 68.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.001 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.611 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.9 p90 -141.83 139.5 32.72 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.753 0.311 . . . . 0.0 110.934 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' TRP . 10.6 pt-20 -147.26 128.11 14.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.441 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 25.8 p90 -111.9 147.57 35.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.125 0.488 . . . . 0.0 112.176 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.01 154.21 22.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.755 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -89.95 102.89 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.789 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.4 t -106.44 151.06 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.969 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.632 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 67.9 m -94.95 110.84 22.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.632 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 106.77 -45.88 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.789 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.66 168.88 12.08 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.318 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.608 ' C ' HG23 ' A' ' 137' ' ' ILE . . . -147.66 120.97 8.97 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.505 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.79 ' HA2' ' HA ' ' A' ' 137' ' ' ILE . . . -116.39 135.94 12.46 Favored Glycine 0 CA--C 1.502 -0.773 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.925 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.783 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.36 154.84 20.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.972 -0.614 . . . . 0.0 109.759 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.611 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -111.07 130.96 55.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.611 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.23 150.47 40.03 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-O 121.54 0.686 . . . . 0.0 110.376 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -112.7 159.45 18.9 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.284 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.55 ' CA ' HG13 ' A' ' 25' ' ' VAL . . . -112.08 -152.51 11.86 Favored Glycine 0 CA--C 1.492 -1.405 0 CA-C-O 122.551 1.084 . . . . 0.0 114.455 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.423 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -179.36 -28.94 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 112.479 -1.86 . . . . 0.0 109.222 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -154.95 29.9 0.41 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.339 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.006 HD22 HD12 ' A' ' 132' ' ' ILE . 0.2 OUTLIER 76.79 -56.71 0.55 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.013 -179.285 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.741 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -57.81 -33.4 68.55 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 4.7 tp10 -54.75 -47.17 74.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.797 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.55 HG13 ' CA ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -63.75 -45.5 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' HE2' HD12 ' A' ' 22' ' ' LEU . 94.5 m-85 -56.32 -54.8 41.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.761 ' HB3' HG12 ' A' ' 85' ' ' VAL . 2.8 pp20? -66.2 -32.59 74.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.59 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 8.8 t-20 -65.44 -27.61 68.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.542 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.28 98.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.25 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.342 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -59.33 -35.93 74.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.282 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.783 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -53.22 -47.99 68.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.46 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -71.8 -48.77 44.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -47.84 84.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.758 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG3' HD12 ' A' ' 31' ' ' LEU . 2.9 mt-10 -53.49 -30.55 41.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.762 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.775 HG12 ' HB2' ' A' ' 113' ' ' ASP . 17.8 t -104.07 -24.86 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 33' ' ' MET . 1.8 tpt -75.76 -24.62 56.06 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.846 0.355 . . . . 0.0 110.429 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.3 t -165.88 -167.28 1.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -125.37 88.09 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.18 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.552 ' HB ' ' HA ' ' A' ' 80' ' ' PHE . 2.6 p -68.27 -22.11 64.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.9 p -62.25 78.19 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.946 0.403 . . . . 0.0 110.975 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER 173.3 -35.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.052 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 52.9 t -96.19 134.76 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.832 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -80.8 -82.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 44' ' ' GLU . . . 175.89 103.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.702 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -97.19 -23.24 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.098 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.581 ' HB2' ' HB3' ' A' ' 103' ' ' GLU . 4.9 mm-40 -136.65 170.67 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.239 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -141.78 142.95 33.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 100' ' ' ALA . 3.0 mtp180 -141.31 147.09 37.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.34 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -123.96 142.8 50.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.912 0.387 . . . . 0.0 111.158 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 97' ' ' THR . 38.9 t -125.09 147.4 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 140.01 53.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.317 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.682 HD12 ' HG ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.75 151.42 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.259 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.8 m -121.9 113.86 20.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.699 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 94' ' ' LEU . 38.3 m -121.25 164.4 17.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.798 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -149.27 41.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' VAL . 1.5 t0 -166.3 5.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? 62.7 -70.52 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 111.216 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' ASP . 10.1 p -54.15 -35.67 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -70.73 -29.99 66.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.646 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -53.96 -39.47 65.98 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.455 HD23 HD11 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -65.75 -48.57 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.792 178.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.407 ' OH ' ' CE2' ' A' ' 120' ' ' PHE . 11.7 t80 -56.97 -34.97 68.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.866 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.76 -19.69 22.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.464 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.577 ' CE3' HD11 ' A' ' 53' ' ' ILE . 2.6 t-105 -72.72 -53.22 12.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.752 0.311 . . . . 0.0 111.254 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.093 HD13 HG11 ' A' ' 136' ' ' VAL . 0.7 OUTLIER -71.22 -41.47 70.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.885 -179.496 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.57 -33.77 60.8 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -36.25 83.79 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.412 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.557 ' HG ' HD11 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -65.56 -32.07 73.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.437 179.351 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -57.52 -47.26 82.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.815 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.17 -52.31 24.46 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.557 HD11 ' HG ' ' A' ' 69' ' ' LEU . 4.1 pt -58.59 -33.44 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.569 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -49.46 -51.49 35.51 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.991 -179.386 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.14 -29.57 62.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.734 0.302 . . . . 0.0 110.219 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.3 m -64.14 -18.69 64.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -167.32 68.11 0.09 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.053 178.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.655 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -62.89 95.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.149 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.724 HG21 ' HA ' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -112.33 152.77 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.955 -178.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.833 HD23 ' CD2' ' A' ' 109' ' ' HIS . 0.2 OUTLIER -65.95 -45.53 81.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.573 -178.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.587 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 2.2 t80 -119.5 147.59 44.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.511 . . . . 0.0 111.819 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.5 t -154.31 130.5 10.37 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.262 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -91.48 146.75 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 14.6 m-85 -117.07 121.48 41.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.893 0.854 . . . . 0.0 112.727 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.648 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.2 OUTLIER -133.38 135.87 44.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.242 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.761 HG12 ' HB3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -131.63 149.45 32.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.84 0.829 . . . . 0.0 112.579 -178.11 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.679 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.8 ttpt -129.63 118.96 22.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.368 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.51 HD11 ' CD2' ' A' ' 26' ' ' PHE . 9.5 mt -116.02 124.51 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.152 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -131.68 122.81 26.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.181 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.475 ' HA ' HD22 ' A' ' 94' ' ' LEU . 1.5 pt-20 -77.13 114.17 15.65 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' A' ' 92' ' ' ASP . 5.7 mmtm -75.02 -169.59 0.95 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.443 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.95 4.44 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' A' ' 90' ' ' LYS . 10.9 p-10 171.29 -32.52 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.936 0.398 . . . . 0.0 110.309 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.84 -157.66 33.89 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.183 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -135.91 145.31 46.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.511 -0.345 . . . . 0.0 111.042 -178.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.451 ' O ' ' HA ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -127.37 143.72 51.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.833 179.464 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.858 ' HB2' HD21 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -127.92 125.56 39.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.642 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.741 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -125.33 119.22 27.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.051 0.453 . . . . 0.0 109.845 178.494 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.648 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.76 148.71 17.06 Favored Glycine 0 C--N 1.317 -0.525 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.744 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.403 ' CB ' ' HG2' ' A' ' 84' ' ' LYS . 9.5 m -118.97 142.86 47.41 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.928 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ARG . . . -134.69 132.75 39.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.666 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.539 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 8.2 ptp -130.47 155.69 46.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.565 0.222 . . . . 0.0 111.33 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 97.6 64.11 0.89 Allowed Glycine 0 C--N 1.334 0.436 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.961 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.724 ' HA ' HG21 ' A' ' 78' ' ' ILE . 29.7 tt0 -109.02 116.96 32.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.031 0.443 . . . . 0.0 111.556 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.54 86.67 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.677 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.655 HD12 ' O ' ' A' ' 77' ' ' PHE . 5.3 tt -79.43 137.91 20.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.373 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -103.77 167.48 9.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.75 -44.49 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.792 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -104.61 64.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.305 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.833 ' CD2' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.32 144.7 53.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.444 ' H ' HD21 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -82.7 108.37 16.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.4 ' HD3' ' HB3' ' A' ' 109' ' ' HIS . 3.4 mmm180 -108.78 137.54 46.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -114.6 -76.83 0.57 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.775 ' HB2' HG12 ' A' ' 36' ' ' VAL . 38.6 t70 -91.78 158.69 16.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.738 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -121.09 113.5 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 111.493 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.457 HG21 HD12 ' A' ' 138' ' ' LEU . 3.1 p -111.39 129.12 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.411 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 4.0 mmtt -88.5 -19.97 25.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.995 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.29 173.73 0.08 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.579 HG13 HD13 ' A' ' 138' ' ' LEU . 0.7 OUTLIER -118.24 108.26 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.388 178.136 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 120' ' ' PHE . 1.1 m -115.93 104.25 11.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.895 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.538 ' C ' ' O ' ' A' ' 119' ' ' THR . 2.2 m-85 17.83 53.17 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.673 0.749 . . . . 0.0 110.703 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.781 ' NE2' HG13 ' A' ' 136' ' ' VAL . 0.7 OUTLIER -55.07 -44.91 75.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.619 -177.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.486 ' HB3' ' CD ' ' A' ' 135' ' ' ARG . 5.4 mmt -169.26 -63.66 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.482 ' HG3' ' C ' ' A' ' 122' ' ' MET . 0.0 OUTLIER 46.1 40.33 7.06 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.279 177.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 2.5 tt0 -114.95 134.17 55.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.302 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 134' ' ' ALA . 14.2 mm -106.06 113.15 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.973 0.416 . . . . 0.0 111.38 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.64 136.56 43.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.309 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.51 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -109.87 122.66 48.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.997 0.427 . . . . 0.0 111.637 -179.443 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -124.46 128.27 48.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.7 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.54 20.35 8.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.86 0.362 . . . . 0.0 111.259 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.17 0.66 73.62 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.197 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 14.6 mt -98.2 145.4 26.65 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 1.006 HD12 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.76 141.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.328 0.585 . . . . 0.0 111.861 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -134.16 137.66 44.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.598 178.217 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 125' ' ' ILE . . . -116.54 148.64 40.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.629 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -124.01 119.8 30.58 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 1.093 HG11 HD13 ' A' ' 66' ' ' LEU . 21.6 t -130.95 114.92 28.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.79 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -103.39 140.92 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.025 0.93 . . . . 0.0 109.884 176.703 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.632 HD23 ' C ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -113.99 151.58 32.17 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.127 -176.583 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -81.7 141.36 33.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.521 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.566 HD13 ' CA ' ' A' ' 11' ' ' ALA . 6.8 tp . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.726 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.5 mtt . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.769 0.318 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -97.4 37.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.61 19.45 68.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.757 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.705 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.2 p90 -141.61 139.82 33.18 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.491 0.186 . . . . 0.0 110.767 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 16' ' ' TRP . 3.6 pt-20 -147.3 133.05 18.93 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 111.563 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -97.04 148.25 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.973 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -108.41 140.07 42.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.966 0.412 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -59.08 101.97 0.11 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.072 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.094 HG21 ' O ' ' A' ' 12' ' ' ASP . 2.0 p -107.17 153.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.852 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.697 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 46.4 m -106.01 56.93 0.66 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.097 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . 148.95 -60.9 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.724 0.297 . . . . 0.0 110.487 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 1.094 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.01 123.35 40.18 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.152 0.501 . . . . 0.0 111.722 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.719 ' N ' HG11 ' A' ' 9' ' ' VAL . . . -99.22 128.17 45.31 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.987 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -109.89 146.52 17.1 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.096 -1.201 . . . . 0.0 110.096 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.81 ' CE2' HG21 ' A' ' 36' ' ' VAL . 2.4 m-85 -105.71 153.44 21.84 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.003 0.43 . . . . 0.0 110.844 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.705 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -110.97 126.06 54.37 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.388 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.802 ' HB3' ' HB3' ' A' ' 134' ' ' ALA . . . -119.4 161.35 20.65 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.495 0.664 . . . . 0.0 110.682 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' C ' HG13 ' A' ' 25' ' ' VAL . 46.9 m-85 -119.65 159.6 24.11 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.35 -1.296 . . . . 0.0 111.49 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.551 ' HA3' ' CG1' ' A' ' 132' ' ' ILE . . . -116.11 177.37 16.95 Favored Glycine 0 CA--C 1.49 -1.479 0 CA-C-O 122.361 0.978 . . . . 0.0 114.213 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -147.02 4.28 0.83 Allowed 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 112.989 -1.606 . . . . 0.0 110.206 -179.293 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 0.6 OUTLIER 158.13 35.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.297 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.68 HD12 ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 72.57 -49.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 -179.313 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.8 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -59.19 -42.77 91.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 20' ' ' HIS . 1.2 tp10 -53.49 -47.36 69.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.691 HG21 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -66.26 -31.85 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.668 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' A' ' 22' ' ' LEU . 31.6 m-85 -60.16 -54.33 47.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.691 0.281 . . . . 0.0 111.59 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.618 ' CG ' HG12 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -67.58 -34.85 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.262 179.64 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.55 -27.26 68.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.258 0.552 . . . . 0.0 109.677 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.933 ' HB1' ' CZ2' ' A' ' 65' ' ' TRP . . . -70.08 -14.3 62.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.72 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.605 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -98.74 -13.59 20.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.667 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.794 HD12 ' CD1' ' A' ' 83' ' ' PHE . 4.9 tt -89.17 -33.27 17.1 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.541 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -48.51 -45.77 37.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 111.114 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.4 tpt -71.99 -36.68 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' O ' ' HG2' ' A' ' 37' ' ' MET . 2.5 m-85 -70.99 -48.21 54.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.237 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.615 ' HB2' HD23 ' A' ' 31' ' ' LEU . 1.2 tm-20 -53.46 -30.32 40.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.016 0.436 . . . . 0.0 110.546 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.81 HG21 ' CE2' ' A' ' 15' ' ' PHE . 21.8 t -89.59 -48.13 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.358 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.567 ' HG3' HG22 ' A' ' 38' ' ' THR . 17.6 ptm -47.92 -48.48 31.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.165 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.647 ' CG2' HD12 ' A' ' 79' ' ' LEU . 0.7 OUTLIER 165.33 170.16 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.17 159.15 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.035 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -58.65 -27.2 64.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.706 ' CB ' HD13 ' A' ' 42' ' ' LEU . 54.6 m 69.72 -62.17 0.43 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.387 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.706 HD13 ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -154.05 32.36 0.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 40' ' ' THR . 2.4 t -106.69 102.98 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 110.718 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -106.1 92.0 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.143 0.497 . . . . 0.0 111.261 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.403 ' HA ' ' N ' ' A' ' 102' ' ' GLY . . . 41.49 60.47 2.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.865 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -74.67 -22.88 58.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.915 0.388 . . . . 0.0 110.62 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.678 ' O ' ' HA ' ' A' ' 101' ' ' MET . 0.4 OUTLIER -148.98 170.75 17.64 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.289 -179.669 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HA ' ' HG3' ' A' ' 101' ' ' MET . 5.0 tt0 -142.32 122.23 13.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.186 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -121.15 141.98 50.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.698 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 142.99 45.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.968 0.413 . . . . 0.0 111.483 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG11 ' HG2' ' A' ' 68' ' ' GLU . 6.7 t -130.56 144.7 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.609 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HG3' HG23 ' A' ' 97' ' ' THR . 5.3 mt-10 -125.77 138.84 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.696 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -140.0 143.71 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.419 ' OG1' ' CE1' ' A' ' 95' ' ' HIS . 1.2 m -122.34 112.86 18.62 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.005 0.431 . . . . 0.0 111.234 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.552 ' HB2' HD23 ' A' ' 61' ' ' LEU . 1.9 m -122.64 163.98 19.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.418 178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -140.02 35.13 1.94 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' VAL . 3.2 t0 -166.17 13.9 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.203 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 65.48 -66.09 0.15 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 111.255 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' ASP . 29.0 m -54.13 -39.12 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.55 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 m -63.01 -37.53 87.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.47 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -54.02 -35.93 62.45 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.951 HD11 ' CD1' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -62.4 -47.34 84.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.352 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -53.19 -33.56 53.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.853 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.61 -14.31 26.63 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.548 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.933 ' CZ2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -72.35 -55.76 6.57 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.702 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.658 HD12 ' CH2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -75.06 -43.54 52.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.682 -178.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -50.24 -35.0 24.97 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HG2' HG11 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -67.4 -44.77 78.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.829 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.605 HD21 ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -66.62 -31.86 72.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.899 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -52.37 59.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.36 -43.86 66.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.906 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.3 mt -61.92 -34.24 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.369 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -50.0 -53.04 29.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.25 -179.338 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -32.28 63.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.749 0.309 . . . . 0.0 110.421 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.2 m -64.06 -18.86 64.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.613 ' O ' HG23 ' A' ' 78' ' ' ILE . 2.0 mt-10 -165.66 71.99 0.16 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.706 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.673 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 1.5 t80 -57.88 92.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.287 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.729 HG21 ' CB ' ' A' ' 103' ' ' GLU . 30.0 pt -112.33 137.18 46.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.267 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.678 ' N ' HD13 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -65.03 -74.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.299 -179.304 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.449 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 4.1 t80 -121.12 145.08 48.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.008 0.433 . . . . 0.0 110.714 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.61 ' HB3' HD12 ' A' ' 78' ' ' ILE . 73.9 p -154.11 163.11 40.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.072 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.79 144.69 31.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.152 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.794 ' CD1' HD12 ' A' ' 31' ' ' LEU . 55.6 m-85 -119.98 122.96 42.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.427 0.632 . . . . 0.0 112.38 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.553 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -131.79 131.82 43.25 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.023 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.8 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -131.01 149.29 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.711 0.767 . . . . 0.0 112.361 -178.11 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.678 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -130.34 118.97 22.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.444 -178.351 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.549 HD11 ' CD2' ' A' ' 26' ' ' PHE . 15.4 mt -110.82 125.26 68.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.674 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -132.87 122.21 24.04 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.876 0.37 . . . . 0.0 111.438 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.95 114.66 18.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.3 mmtp -74.81 -169.78 0.95 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.944 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -58.25 7.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 90' ' ' LYS . 6.7 p-10 173.62 -36.79 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 109.955 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.09 -162.23 35.48 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.966 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 95' ' ' HIS . 0.2 OUTLIER -135.98 143.15 44.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.601 0.239 . . . . 0.0 110.757 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.482 ' N ' HD12 ' A' ' 94' ' ' LEU . 6.8 t60 -127.35 143.78 51.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 111.641 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 53' ' ' ILE . 10.3 tt -122.5 135.64 54.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.678 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.07 119.55 28.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.186 0.517 . . . . 0.0 109.651 178.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -122.24 148.55 17.06 Favored Glycine 0 C--N 1.313 -0.702 0 CA-C-N 115.784 -0.644 . . . . 0.0 113.821 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 3.4 m -127.85 142.27 51.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.479 0.18 . . . . 0.0 111.229 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.49 ' HB3' ' CD ' ' A' ' 49' ' ' ARG . . . -134.56 131.32 37.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.048 0.451 . . . . 0.0 111.143 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.678 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -132.0 155.24 48.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.323 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.421 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 95.14 37.92 4.99 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.061 -1.066 . . . . 0.0 111.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.729 ' CB ' HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -97.56 119.29 35.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.172 -0.514 . . . . 0.0 111.034 -178.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 172.33 84.06 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.673 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 9.5 tt -72.6 122.36 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -106.77 143.2 35.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.99 123.79 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.646 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.26 31.93 8.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.131 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -59.02 157.19 10.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.95 140.16 1.48 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.396 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -90.51 135.86 33.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.296 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.57 179.12 6.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.172 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -89.54 126.87 35.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.577 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.21 144.2 49.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.506 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 138' ' ' LEU . 3.4 m -69.71 109.51 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.58 -19.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.038 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -150.07 107.21 3.59 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.643 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.976 HG23 HD13 ' A' ' 138' ' ' LEU . 3.0 p -81.21 107.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.982 0.42 . . . . 0.0 110.118 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 121' ' ' HIS . 59.2 m -116.38 122.16 44.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.473 ' HB2' ' HG2' ' A' ' 123' ' ' MET . 0.1 OUTLIER -66.23 69.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.488 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 0.8 OUTLIER -76.92 -43.56 35.03 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.045 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.466 ' O ' ' HG3' ' A' ' 123' ' ' MET . 10.2 mmt -99.25 -67.49 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 32.31 71.95 0.08 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.296 179.265 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 3.5 mt-10 -163.64 134.51 4.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.065 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.951 ' CD1' HD11 ' A' ' 62' ' ' LEU . 59.3 mt -103.82 116.59 47.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 111.124 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -103.8 136.71 42.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.292 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.8 OUTLIER -94.3 122.77 37.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.932 0.396 . . . . 0.0 111.389 -179.211 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -124.17 125.4 44.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.667 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 58.6 21.02 8.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.994 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 90.98 0.7 74.11 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.853 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 11.9 mt -100.85 145.15 28.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.693 0.282 . . . . 0.0 110.268 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.65 HG21 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -102.45 136.11 36.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.874 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 10.1 mtmt -134.65 137.34 43.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.892 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.802 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . . . -108.83 148.01 31.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.55 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.678 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -139.26 124.91 19.47 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -178.815 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.987 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 16.4 t -129.84 113.6 27.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.414 176.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.712 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 1.1 mt -95.58 113.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.401 0.619 . . . . 0.0 110.189 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.976 HD13 HG23 ' A' ' 118' ' ' VAL . 5.6 mt -109.9 152.98 25.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.836 -178.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.471 ' HA ' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -81.27 142.12 33.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.242 0.544 . . . . 0.0 111.438 -177.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 11' ' ' ALA . 7.0 tp . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.2 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.836 0.351 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -146.17 -47.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . 92.68 -10.69 73.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.951 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.43 140.08 34.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 111.004 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -144.51 136.14 25.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.482 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 34.7 p90 -114.49 147.5 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.432 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.5 ' CZ ' ' O ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -108.86 140.19 42.65 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 179.312 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.29 103.52 0.15 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.018 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.08 HG21 ' O ' ' A' ' 12' ' ' ASP . 1.9 p -107.14 153.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.731 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.683 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 28.1 m -106.99 58.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.241 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . 147.82 -59.13 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 1.08 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.01 124.64 43.01 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.746 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.712 ' O ' HD22 ' A' ' 138' ' ' LEU . . . -105.82 121.79 44.78 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.659 ' HA2' ' HA ' ' A' ' 137' ' ' ILE . . . -112.37 129.58 9.1 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.761 ' HD2' ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -105.69 150.19 25.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.091 0.472 . . . . 0.0 111.154 -177.757 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.498 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -110.81 125.04 53.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.393 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -121.13 144.97 48.28 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.473 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.762 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -113.29 144.25 43.04 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.794 -177.334 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' C ' ' CD2' ' A' ' 20' ' ' HIS . . . -91.25 -167.31 40.98 Favored Glycine 0 CA--C 1.474 -2.531 0 CA-C-O 122.947 1.304 . . . . 0.0 113.297 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -143.96 4.02 1.26 Allowed 'General case' 0 N--CA 1.41 -2.468 0 CA-C-N 111.71 -2.245 . . . . 0.0 109.745 -179.183 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -179.35 29.72 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.923 ' O ' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER 73.23 -57.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.179 -179.571 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.764 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -58.7 -52.51 65.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.186 0.517 . . . . 0.0 109.714 178.843 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 53.3 mm-40 -53.3 -24.23 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.778 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.923 HG12 ' O ' ' A' ' 22' ' ' LEU . 2.5 p -73.96 -32.32 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.723 ' CE1' ' HB ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -71.86 -40.95 68.64 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.801 0.334 . . . . 0.0 110.865 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.625 ' HB3' HG12 ' A' ' 85' ' ' VAL . 2.5 pp20? -62.79 -32.17 73.29 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 109.904 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.92 -27.17 68.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.053 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.745 ' HB3' ' NE1' ' A' ' 65' ' ' TRP . . . -52.33 -43.4 64.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.97 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB1' ' CZ ' ' A' ' 83' ' ' PHE . . . -72.6 -32.98 66.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.977 0.418 . . . . 0.0 110.061 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HG ' ' CE1' ' A' ' 80' ' ' PHE . 5.5 tt -59.25 -23.83 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.765 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.761 ' HB1' ' HD2' ' A' ' 15' ' ' PHE . . . -68.76 -49.19 60.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.441 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.598 ' HE1' HG22 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -51.68 -28.53 15.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.164 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CD2' ' CD2' ' A' ' 80' ' ' PHE . 3.0 t80 -51.71 -38.43 55.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.501 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -53.29 -30.37 38.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.762 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.84 HG13 ' CB ' ' A' ' 113' ' ' ASP . 23.9 t -93.87 -53.96 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.394 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 38' ' ' THR . 22.0 mmt -50.08 -55.98 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.826 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 37' ' ' MET . 0.7 OUTLIER 49.87 177.06 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.974 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 t70 64.82 8.72 4.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.615 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.882 HG22 ' CB ' ' A' ' 79' ' ' LEU . 1.1 p -72.9 -21.5 60.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.507 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -47.06 -22.19 0.32 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.666 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -29.76 48.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.692 HG11 HD11 ' A' ' 105' ' ' ILE . 3.6 m -97.34 122.96 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.87 -73.27 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB1' ' SD ' ' A' ' 101' ' ' MET . . . -145.88 84.8 1.67 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.01 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -98.12 -38.55 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.672 ' O ' ' HA ' ' A' ' 101' ' ' MET . 9.5 mm-40 -136.9 170.13 16.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.738 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -142.09 125.93 17.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.447 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.65 132.95 48.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 111.034 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 142.87 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.57 147.22 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 111.48 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -125.84 144.05 50.81 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.596 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -139.55 150.95 22.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.647 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 t -121.75 114.48 21.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.674 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -120.65 164.57 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.601 179.459 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -143.43 31.48 1.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.734 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' VAL . 23.3 t70 -176.02 18.41 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 66.36 -60.2 0.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.374 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.748 HG23 ' CB ' ' A' ' 124' ' ' GLU . 5.8 p -53.7 -44.84 59.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.833 0.349 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.457 ' N ' HG13 ' A' ' 59' ' ' VAL . 56.4 m -61.73 -30.98 71.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.363 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -53.96 -40.47 66.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.509 ' CD2' ' HB1' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -72.09 -47.39 51.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.555 179.461 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.14 -39.5 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.14 -15.81 54.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.291 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.745 ' NE1' ' HB3' ' A' ' 29' ' ' ALA . 1.7 t-105 -72.77 -53.59 11.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 111.08 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.935 ' CD1' HG11 ' A' ' 136' ' ' VAL . 1.4 mt -71.68 -34.62 69.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -34.07 69.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -52.43 29.54 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.643 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -31.09 67.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.632 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.82 -52.25 57.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -70.48 -44.85 66.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.045 0.45 . . . . 0.0 110.632 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.1 mt -61.01 -33.67 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.118 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -49.54 -49.72 45.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.549 -179.11 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 77' ' ' PHE . 10.4 t0 -73.04 -35.12 66.67 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 m -64.17 -18.29 64.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 78' ' ' ILE . 4.6 pt-20 -164.9 77.13 0.3 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.484 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.759 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 55.6 m-85 -55.89 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.911 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 76' ' ' GLU . 27.7 pt -111.83 147.91 15.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.105 0.478 . . . . 0.0 111.182 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.882 ' CB ' HG22 ' A' ' 40' ' ' THR . 7.6 mt -79.4 -81.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.566 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.805 ' HB3' HG21 ' A' ' 40' ' ' THR . 16.1 t80 -136.78 142.9 42.97 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.107 0.48 . . . . 0.0 110.471 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.517 ' HB2' ' O ' ' A' ' 101' ' ' MET . 30.1 p -154.23 163.33 40.3 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.104 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -79.65 122.24 26.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.544 ' CB ' ' HB2' ' A' ' 27' ' ' GLU . 88.7 m-85 -104.58 121.67 44.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.586 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.588 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.3 OUTLIER -102.16 136.14 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.532 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.764 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -132.96 149.73 32.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.659 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -129.98 139.11 51.11 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 113.459 -1.7 . . . . 0.0 110.077 -179.256 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.687 HG13 ' HB3' ' A' ' 23' ' ' GLU . 56.3 mt -128.34 124.53 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.328 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -132.95 127.24 33.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.33 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -77.08 115.25 16.71 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.2 mmtt -74.75 -169.19 0.83 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.431 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.42 2.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 169.4 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.339 0.12 0 CA-C-O 120.804 0.335 . . . . 0.0 110.808 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.98 -145.87 18.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.349 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -135.92 136.58 40.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.463 -0.368 . . . . 0.0 111.099 -178.564 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -127.86 140.5 51.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.527 179.025 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.686 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 8.6 tt -127.94 141.65 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.728 0.299 . . . . 0.0 111.447 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.659 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.79 119.21 27.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.09 0.472 . . . . 0.0 109.893 178.597 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.588 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.96 148.36 17.0 Favored Glycine 0 C--N 1.315 -0.602 0 C-N-CA 120.817 -0.706 . . . . 0.0 114.058 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.401 ' CB ' ' HE3' ' A' ' 84' ' ' LYS . 9.6 m -126.08 141.27 52.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.577 0.227 . . . . 0.0 110.497 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -133.82 132.71 40.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.79 0.328 . . . . 0.0 111.335 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.672 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.62 148.05 52.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.473 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 107.99 48.43 0.89 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.58 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.508 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.1 tt0 -104.69 115.98 31.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.812 0.339 . . . . 0.0 111.408 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 176.33 34.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.097 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.759 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 21.5 mm -95.74 138.32 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.938 0.399 . . . . 0.0 111.751 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 169.75 12.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.376 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -62.86 131.4 48.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.146 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.51 47.74 43.9 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.784 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -83.5 104.48 13.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 111.323 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.95 98.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.579 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -108.88 124.07 50.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.732 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -112.53 -32.66 6.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.169 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.84 ' CB ' HG13 ' A' ' 36' ' ' VAL . 3.9 m-20 -119.21 159.21 24.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.659 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -116.72 104.98 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.404 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.592 ' O ' HG13 ' A' ' 115' ' ' VAL . 12.1 p -111.33 109.71 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.251 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.6 mttp -59.05 -26.49 64.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.502 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.86 -176.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.004 0.431 . . . . 0.0 111.541 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.855 HG13 HD12 ' A' ' 138' ' ' LEU . 19.7 t -113.48 108.96 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.873 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 19.2 m -112.38 104.58 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.453 ' CB ' ' HG3' ' A' ' 123' ' ' MET . 21.9 p90 -37.29 101.9 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.888 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.697 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 0.8 OUTLIER -55.51 -34.33 64.55 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 122.498 1.142 . . . . 0.0 108.197 178.447 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.423 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 176.92 -32.04 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 112.805 -1.998 . . . . 0.0 107.941 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.456 ' SD ' HG22 ' A' ' 136' ' ' VAL . 1.1 mmm 52.13 59.1 4.77 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.753 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.748 ' CB ' HG23 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -133.93 134.79 43.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.214 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.803 HG21 HG11 ' A' ' 25' ' ' VAL . 4.3 mt -96.25 112.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.082 0.467 . . . . 0.0 110.703 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.631 HD11 ' HE3' ' A' ' 133' ' ' LYS . 2.9 pp -103.51 136.53 43.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.137 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.602 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 10.8 p-10 -100.89 121.99 42.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.112 0.482 . . . . 0.0 111.774 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -124.97 128.65 48.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.331 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 t0 59.21 20.44 8.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 89.36 0.67 79.53 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.6 OUTLIER -96.92 146.18 25.19 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.555 0.342 . . . . 0.0 110.1 179.53 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.901 HG21 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.3 136.36 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.289 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.648 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 3.2 mtpp -134.49 136.76 43.38 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.783 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.509 ' HB1' ' CD2' ' A' ' 62' ' ' LEU . . . -126.34 142.88 51.36 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.566 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.466 ' HD3' ' CD2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -126.15 124.58 40.84 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -178.577 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.935 HG11 ' CD1' ' A' ' 66' ' ' LEU . 45.8 t -129.79 117.03 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.407 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.899 ' O ' HD13 ' A' ' 138' ' ' LEU . 1.0 OUTLIER -86.33 141.43 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.025 0.93 . . . . 0.0 111.851 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.899 HD13 ' O ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -126.9 151.63 48.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.52 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 115' ' ' VAL . 20.5 t0 -82.09 138.62 34.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.335 0.588 . . . . 0.0 112.121 -177.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.522 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.822 0.344 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.2 mttp 60.94 35.0 19.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.949 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . 81.27 8.12 87.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.914 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.564 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.02 139.88 34.0 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.832 0.316 . . . . 0.0 110.921 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.18 153.72 40.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.118 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.46 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 34.3 p90 -114.64 147.32 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.349 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -109.05 169.25 8.8 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.453 179.31 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -66.06 92.73 0.18 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.136 0.493 . . . . 0.0 112.271 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.925 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 3.5 p -107.22 152.3 8.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.322 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.62 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 76.7 m -137.45 98.89 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.544 178.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.653 ' O ' ' N ' ' A' ' 140' ' ' LEU . . . 115.29 -42.15 0.01 OUTLIER 'General case' 0 C--N 1.347 0.499 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.925 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.68 171.51 10.02 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.718 ' HA ' HG11 ' A' ' 9' ' ' VAL . . . -146.62 120.84 9.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.104 0.478 . . . . 0.0 111.232 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.882 ' HA3' HG12 ' A' ' 137' ' ' ILE . . . -122.7 129.86 7.66 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.685 ' CZ ' HG22 ' A' ' 36' ' ' VAL . 1.5 m-85 -107.93 152.22 24.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.033 0.444 . . . . 0.0 110.834 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.564 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -111.36 124.89 53.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.399 179.216 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.632 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -127.52 157.4 40.23 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.833 ' HB3' HD11 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -113.36 159.43 19.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.179 -178.192 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.687 ' CA ' HG13 ' A' ' 25' ' ' VAL . . . -109.07 -171.82 20.9 Favored Glycine 0 CA--C 1.489 -1.578 0 CA-C-O 122.426 1.014 . . . . 0.0 113.853 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -139.73 1.58 1.91 Allowed 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 112.671 -1.764 . . . . 0.0 109.736 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 0.9 OUTLIER 155.68 44.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.104 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.944 HD13 HG21 ' A' ' 132' ' ' ILE . 2.2 mm? 70.9 -57.81 0.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.461 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.547 ' HG2' HG22 ' A' ' 85' ' ' VAL . 13.0 tt0 -52.0 -31.71 30.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.436 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 1.6 tp10 -73.56 -47.6 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.687 HG13 ' CA ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -59.42 -50.71 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.752 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.737 ' HB2' HG21 ' A' ' 85' ' ' VAL . 22.3 m-85 -49.8 -38.38 34.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.223 0.535 . . . . 0.0 110.12 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.657 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -65.81 -41.68 91.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.867 179.173 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.4 -27.6 64.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.854 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.06 -49.39 66.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.27 64.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -44.01 90.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -60.04 -42.86 95.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -71.71 -48.64 45.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.64 -33.43 75.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.92 -30.58 64.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.936 0.398 . . . . 0.0 110.606 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.741 HG12 ' HB3' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -85.09 -33.62 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.767 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mmm -79.94 -29.35 39.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.702 HG21 ' CD1' ' A' ' 79' ' ' LEU . 12.0 t -177.81 -164.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HB3' HD11 ' A' ' 42' ' ' LEU . 2.4 t70 -122.6 104.0 9.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.896 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.434 ' HA ' ' HB2' ' A' ' 80' ' ' PHE . 36.9 p -71.8 -21.35 61.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.391 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.9 t -40.45 -29.05 0.08 Allowed 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -113.43 61.18 0.65 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.964 0.411 . . . . 0.0 111.151 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.3 p -91.17 134.67 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -21.19 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.512 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.04 113.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.825 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -123.46 -47.94 1.96 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.257 0.551 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.738 ' O ' ' HA ' ' A' ' 101' ' ' MET . 1.0 OUTLIER -121.59 170.92 9.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.441 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -142.38 122.47 13.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.534 ' NH2' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -121.16 154.59 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.232 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -123.76 142.94 50.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 111.737 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.493 HG11 ' HG2' ' A' ' 68' ' ' GLU . 34.9 t -128.37 149.0 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.173 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.606 ' HG2' HG23 ' A' ' 97' ' ' THR . 0.7 OUTLIER -125.78 141.79 51.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.471 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.58 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.81 147.74 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.778 -179.28 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 82.8 p -121.84 114.4 20.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.243 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.752 ' HB3' HD22 ' A' ' 61' ' ' LEU . 3.1 t -121.01 163.33 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.871 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HG2' ' HA3' ' A' ' 93' ' ' GLY . 24.7 mt-10 -156.25 25.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.638 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -158.6 19.51 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.512 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 65.87 -66.89 0.15 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.499 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.1 m -54.17 -35.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.495 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 t -59.4 -41.6 89.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.123 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 55' ' ' SER . 0.0 OUTLIER -54.11 -47.57 71.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.783 0.325 . . . . 0.0 110.22 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.68 HD23 HD11 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -69.93 -47.58 61.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.307 179.241 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -56.85 -35.03 68.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.88 -17.2 23.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.561 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.555 ' CE3' HD11 ' A' ' 53' ' ' ILE . 5.8 t-105 -72.83 -52.93 12.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.637 0.256 . . . . 0.0 111.191 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.862 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.5 OUTLIER -69.19 -43.47 74.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.745 -179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.21 -33.52 41.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.216 0.532 . . . . 0.0 109.596 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HG2' HG11 ' A' ' 51' ' ' VAL . 1.1 tp10 -66.57 -35.58 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.483 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.823 HD23 HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -71.02 -31.83 68.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.494 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -48.54 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.505 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' O ' HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -70.52 -52.19 23.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.449 -179.346 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.823 HD11 HD23 ' A' ' 69' ' ' LEU . 2.4 pp -55.31 -33.94 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.572 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.682 ' N ' HD12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -49.74 -52.66 29.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.353 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -73.37 -36.6 66.12 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.53 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 71' ' ' PHE . 2.7 p -64.2 -18.22 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.643 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -161.66 76.79 0.52 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.874 178.467 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.432 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -58.8 96.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.139 179.339 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.79 HG21 ' HB2' ' A' ' 103' ' ' GLU . 1.1 pt -112.77 144.37 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.335 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.702 ' CD1' HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER -77.61 -71.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.539 -179.238 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 18.1 p90 -123.86 142.04 51.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.481 ' OG ' HD13 ' A' ' 78' ' ' ILE . 3.3 m -153.8 159.4 41.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.33 150.08 27.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.331 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -118.35 122.4 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.523 0.678 . . . . 0.0 111.994 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.473 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.19 115.51 15.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.384 178.289 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.737 HG21 ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -110.6 149.63 13.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.535 0.683 . . . . 0.0 112.108 -178.4 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.761 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 1.7 tttm -130.65 118.91 21.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.249 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.446 HD11 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -123.52 140.73 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 121.821 -0.55 . . . . 0.0 110.37 179.213 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.584 ' HB2' ' CE1' ' A' ' 95' ' ' HIS . 0.5 OUTLIER -133.06 122.5 24.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.609 -178.657 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -83.0 113.77 20.8 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 93' ' ' GLY . 3.8 mmtp -92.73 -169.34 2.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.878 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.84 6.36 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.629 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER 172.15 -37.6 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.1 0.476 . . . . 0.0 110.175 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 90' ' ' LYS . . . -108.71 168.44 13.52 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.476 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.683 HD23 ' N ' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -136.28 136.4 39.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.44 0.62 . . . . 0.0 111.995 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 88' ' ' ASP . 33.3 p80 -105.49 143.5 33.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.625 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.761 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 8.2 tt -114.89 141.0 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 111.6 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.719 ' N ' HD23 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -125.05 119.18 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.688 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -117.12 148.3 18.84 Favored Glycine 0 C--N 1.315 -0.599 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.494 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 4.7 m -127.25 142.29 51.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.418 ' HB3' ' CG ' ' A' ' 49' ' ' ARG . . . -132.54 132.38 42.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.944 0.402 . . . . 0.0 111.271 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.738 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 5.3 mtt -131.08 155.63 46.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.597 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.79 51.05 4.17 Favored Glycine 0 CA--C 1.507 -0.408 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.79 ' HB2' HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -92.67 116.09 28.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.121 -0.539 . . . . 0.0 111.627 -178.183 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.79 113.88 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.651 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.502 HD13 HD23 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -88.27 138.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.916 0.389 . . . . 0.0 111.035 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 109' ' ' HIS . 0.0 OUTLIER -121.65 -172.75 2.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.646 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -93.6 113.45 25.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.444 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 47.86 42.1 21.54 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.236 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 106' ' ' LYS . 1.2 t-80 -83.58 110.22 18.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.771 0.32 . . . . 0.0 111.06 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 57.06 83.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.81 102.75 11.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -92.66 -58.11 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.472 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.741 ' HB3' HG12 ' A' ' 36' ' ' VAL . 42.0 t0 -124.91 159.16 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.326 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -110.14 103.36 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.02 0.438 . . . . 0.0 111.798 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.5 t -111.84 109.56 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.982 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 21.72 11.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.604 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -177.59 121.72 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.847 HG23 ' CD1' ' A' ' 138' ' ' LEU . 2.3 p -101.37 108.5 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.684 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.42 ' N ' HD22 ' A' ' 138' ' ' LEU . 5.6 t -114.13 127.6 55.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.298 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.414 ' HB2' ' HG3' ' A' ' 123' ' ' MET . 0.1 OUTLIER -69.58 67.04 0.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.547 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -60.62 -43.77 97.08 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.187 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.63 -65.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 110.752 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.597 ' HA ' HG22 ' A' ' 136' ' ' VAL . 0.3 OUTLIER 45.33 39.55 4.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.093 0.473 . . . . 0.0 110.705 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -115.36 143.02 45.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.68 HD11 HD23 ' A' ' 62' ' ' LEU . 62.5 mt -111.34 113.07 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.435 . . . . 0.0 111.599 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.87 136.52 45.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.78 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.6 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 10.4 t70 -108.06 122.13 46.24 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.622 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -124.84 131.24 53.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.724 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 57.58 21.27 6.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 111.217 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 89.63 0.5 78.89 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.833 HD11 ' HB3' ' A' ' 18' ' ' TYR . 3.3 tm? -91.88 139.15 30.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.944 HG21 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -101.16 122.97 53.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.554 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 26.5 mttt -116.76 136.92 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.703 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -118.32 141.48 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.494 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 123' ' ' MET . 0.0 OUTLIER -138.48 119.16 14.03 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.862 HG11 ' CD1' ' A' ' 66' ' ' LEU . 72.8 t -130.74 114.71 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.437 176.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.882 HG12 ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -99.23 120.99 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.785 0.802 . . . . 0.0 109.95 177.481 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.847 ' CD1' HG23 ' A' ' 118' ' ' VAL . 6.2 mt -106.82 153.21 22.81 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.418 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.7 142.15 34.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.503 0.668 . . . . 0.0 111.688 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.653 ' N ' ' O ' ' A' ' 11' ' ' ALA . 4.8 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.059 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.752 0.31 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.45 -43.44 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . 77.29 2.29 78.53 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.955 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.17 139.96 34.03 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.961 0.41 . . . . 0.0 111.146 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -147.04 128.57 15.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 38.4 p90 -94.77 147.71 23.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.901 0.381 . . . . 0.0 111.849 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CE1' ' CA ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -108.6 169.2 8.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.672 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -100.06 99.32 10.03 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.3 t -106.71 151.34 8.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.487 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.641 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.1 m -96.1 103.8 15.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.328 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.641 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 112.71 -45.15 0.0 OUTLIER 'General case' 0 C--N 1.346 0.428 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.806 ' HB2' HG22 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.65 169.62 11.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.447 179.812 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.607 ' C ' HG23 ' A' ' 137' ' ' ILE . . . -147.62 121.27 9.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.794 ' N ' HG23 ' A' ' 137' ' ' ILE . . . -115.52 143.05 17.96 Favored Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.78 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.746 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -109.58 141.96 41.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.88 0.371 . . . . 0.0 110.116 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -111.77 125.15 53.68 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.163 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -124.69 162.73 23.56 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.415 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -115.08 159.6 20.64 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.388 -178.178 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.77 ' N ' HG13 ' A' ' 25' ' ' VAL . . . -107.43 -151.8 17.48 Favored Glycine 0 CA--C 1.491 -1.422 0 CA-C-N 114.77 -1.104 . . . . 0.0 113.263 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 178.65 -24.96 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 113.268 -1.466 . . . . 0.0 109.886 -178.599 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' OD2' ' CD2' ' A' ' 20' ' ' HIS . 0.7 OUTLIER -165.27 29.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.472 179.744 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' A' ' 132' ' ' ILE . 1.7 mt 80.27 -51.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.199 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.744 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -67.0 -31.92 72.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.586 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HG3' ' HB3' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -61.36 -42.56 98.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.829 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.77 HG13 ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -73.74 -46.49 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.161 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.603 ' CE1' HD13 ' A' ' 125' ' ' ILE . 30.9 m-85 -52.36 -54.54 30.44 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.666 ' CG ' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -63.43 -33.14 74.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.911 0.386 . . . . 0.0 110.727 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.537 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 3.9 m-20 -63.14 -33.13 74.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.44 73.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 69' ' ' LEU . . . -65.78 -40.2 91.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -34.39 64.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.967 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.746 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -59.4 -50.52 73.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.668 ' HB2' HD21 ' A' ' 66' ' ' LEU . 10.5 tpt -71.84 -30.58 65.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 2.1 m-85 -64.23 -52.15 60.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.65 -30.87 45.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.634 HG21 ' HZ ' ' A' ' 15' ' ' PHE . 20.2 t -81.57 -35.45 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.929 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.481 ' C ' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -54.63 -35.73 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.955 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.608 HG21 HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER 176.7 -89.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.622 ' O ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER 175.39 107.91 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.736 0.303 . . . . 0.0 110.893 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.622 ' HB ' ' HA ' ' A' ' 80' ' ' PHE . 2.9 p -72.12 -21.44 61.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.336 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.779 ' C ' HD13 ' A' ' 42' ' ' LEU . 7.1 p -64.81 63.29 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.01 HD23 HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER 177.89 -17.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.553 179.198 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.01 HG23 HD23 ' A' ' 42' ' ' LEU . 51.2 t -110.09 134.78 51.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.752 0.311 . . . . 0.0 110.305 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 1.1 mt-10 -81.68 -82.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.409 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.763 ' HB1' ' SD ' ' A' ' 101' ' ' MET . . . 175.75 105.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.456 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -104.63 -32.17 9.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.967 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.761 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.3 mm-40 -135.73 151.98 50.69 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.11 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 101' ' ' MET . 18.7 tt0 -132.41 142.07 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 111.212 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -139.15 156.3 47.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.708 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.1 142.92 45.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.049 0.452 . . . . 0.0 111.142 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.404 HG21 HD13 ' A' ' 72' ' ' ILE . 9.6 t -127.45 145.41 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.65 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -125.94 144.6 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.078 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.796 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -138.55 151.83 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.796 -179.01 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.3 m -121.83 114.87 21.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.692 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.573 ' HB3' HD23 ' A' ' 61' ' ' LEU . 16.0 t -120.53 163.74 17.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.631 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.567 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.5 mt-10 -155.01 29.74 0.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.373 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' VAL . 8.3 t70 -174.94 24.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.774 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 63.83 -67.86 0.1 Allowed 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.866 0.365 . . . . 0.0 111.818 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' ASP . 9.0 p -54.1 -35.72 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.627 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -42.85 99.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.24 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.846 HD11 HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -54.22 -53.38 54.28 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.688 0.28 . . . . 0.0 110.359 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.73 HD23 HG23 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -58.83 -38.46 78.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.069 0.461 . . . . 0.0 110.344 179.252 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.421 ' CE1' ' CG ' ' A' ' 120' ' ' PHE . 4.8 t80 -63.48 -35.07 79.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.004 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.91 -11.8 24.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.665 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.523 ' HA ' ' CE3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -72.83 -52.85 13.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.957 0.408 . . . . 0.0 111.0 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.849 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.5 OUTLIER -66.15 -47.85 72.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -51.95 -33.3 37.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.511 ' C ' HD12 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -63.97 -40.49 96.53 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.246 178.536 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -61.46 -32.04 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.101 179.137 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.002 HD11 HG11 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -59.46 -52.54 65.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.883 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.39 -45.87 61.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.511 HD12 ' C ' ' A' ' 68' ' ' GLU . 13.6 mt -59.01 -34.94 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.7 m-70 -56.72 -53.29 59.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.942 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -73.79 -32.9 63.99 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.761 0.315 . . . . 0.0 110.292 179.24 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.1 m -64.07 -18.34 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -165.06 72.01 0.18 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.977 178.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' A' ' 74' ' ' ASP . 73.0 m-85 -45.31 91.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.745 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.915 HG22 ' HA ' ' A' ' 103' ' ' GLU . 33.9 pt -112.22 134.81 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.322 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.617 ' O ' HG22 ' A' ' 40' ' ' THR . 17.2 mt -83.01 -41.35 18.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.044 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.622 ' HA ' ' HB ' ' A' ' 40' ' ' THR . 3.6 t80 -119.87 145.84 46.31 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.689 ' OG ' ' HB1' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -154.3 130.76 10.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.237 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -82.19 150.0 27.62 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.549 ' HB2' ' HB3' ' A' ' 27' ' ' GLU . 1.4 p90 -106.3 119.73 40.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 122.025 0.917 . . . . 0.0 113.162 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.63 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -134.96 115.15 13.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.728 -1.578 . . . . 0.0 107.112 176.571 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.744 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -124.46 149.23 28.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.909 0.861 . . . . 0.0 112.733 -178.468 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.777 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -130.06 118.77 22.04 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.849 -178.614 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.568 HD12 ' CE2' ' A' ' 26' ' ' PHE . 3.2 tt -128.42 142.69 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 121.939 -0.476 . . . . 0.0 110.999 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 31.9 t70 -124.34 120.62 32.67 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.59 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -105.6 112.07 25.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.725 0.774 . . . . 0.0 110.912 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.67 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -133.21 -167.06 1.86 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.299 -1.318 . . . . 0.0 108.43 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' LYS . 4.2 t70 -19.22 -37.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 164.58 -33.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.051 0.453 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.508 ' O ' ' CE ' ' A' ' 90' ' ' LYS . . . -75.43 78.54 1.13 Allowed Glycine 0 C--O 1.226 -0.352 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.916 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -93.13 140.4 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.986 0.422 . . . . 0.0 111.33 -179.062 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.417 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 6.5 p80 -125.94 143.59 51.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.373 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.846 HD13 HD11 ' A' ' 61' ' ' LEU . 8.0 tt -110.73 141.36 44.12 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.702 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.596 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.91 119.48 28.9 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.704 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.63 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -124.94 148.82 16.85 Favored Glycine 0 C--N 1.313 -0.717 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.935 -178.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.6 m -118.86 142.72 47.48 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.751 0.31 . . . . 0.0 111.81 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.689 ' HB1' ' OG ' ' A' ' 81' ' ' SER . . . -137.02 132.51 34.35 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.794 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.763 ' SD ' ' HB1' ' A' ' 45' ' ' ALA . 4.0 ttt -130.97 153.65 48.98 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.998 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.456 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 106.94 58.21 0.6 Allowed Glycine 0 C--N 1.338 0.674 0 C-N-CA 119.844 -1.17 . . . . 0.0 112.581 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.915 ' HA ' HG22 ' A' ' 78' ' ' ILE . 1.3 tt0 -103.21 116.04 31.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.039 0.447 . . . . 0.0 110.983 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 177.88 69.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.418 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.74 HD13 ' N ' ' A' ' 106' ' ' LYS . 0.1 OUTLIER -72.86 127.86 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.287 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.74 ' N ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -106.2 140.52 39.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.5 104.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.274 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.11 30.24 55.48 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.664 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -79.17 115.98 19.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 61.18 113.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -108.65 129.17 55.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -158.02 -176.22 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -89.63 127.54 35.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.468 ' HA ' HG12 ' A' ' 36' ' ' VAL . 21.6 tt0 -121.61 144.0 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 115' ' ' VAL . 29.5 m -70.04 109.41 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.398 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -55.61 -20.9 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.791 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -141.16 125.33 17.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.934 0.397 . . . . 0.0 111.909 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.002 HG11 HD11 ' A' ' 70' ' ' LEU . 7.3 p -98.79 107.91 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.258 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 137' ' ' ILE . 94.0 m -116.13 129.84 56.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 35.6 p90 -69.53 69.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.544 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -59.32 -43.79 92.66 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.689 -178.5 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -64.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.633 0.254 . . . . 0.0 110.477 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.681 ' HE1' ' HB3' ' A' ' 66' ' ' LEU . 1.4 mtt 44.81 48.98 9.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.066 0.46 . . . . 0.0 110.671 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -128.59 146.26 50.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.588 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.73 HG23 HD23 ' A' ' 62' ' ' LEU . 2.6 pt -111.18 112.94 42.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.022 0.439 . . . . 0.0 111.488 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.641 ' H ' HD13 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -110.76 151.37 27.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.817 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 2.0 p30 -110.78 121.68 45.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.275 0.56 . . . . 0.0 112.318 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 131' ' ' LEU . 18.0 tt0 -125.24 138.3 54.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.81 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 59.61 19.62 8.2 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.119 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 85.26 0.61 88.54 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -105.62 145.67 30.7 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.27 143.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.677 0.275 . . . . 0.0 110.468 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -133.25 137.07 45.93 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.027 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.596 ' HB1' HD21 ' A' ' 62' ' ' LEU . . . -110.79 138.9 46.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.668 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -134.95 120.13 18.85 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.853 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.849 HG11 ' CD1' ' A' ' 66' ' ' LEU . 25.1 t -130.07 114.77 30.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.857 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.861 ' C ' HD23 ' A' ' 138' ' ' LEU . 1.0 OUTLIER -97.96 135.55 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-O 121.443 0.64 . . . . 0.0 110.071 177.671 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.992 HD13 HG23 ' A' ' 118' ' ' VAL . 5.3 mt -123.29 152.8 41.03 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.497 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.21 142.37 33.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.387 0.613 . . . . 0.0 112.075 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.547 HD23 ' CA ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.37 -1.287 . . . . 0.0 112.5 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mtt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.794 0.33 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -140.25 -42.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.721 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . 86.13 -11.01 63.97 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.906 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.665 ' CD2' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -142.27 139.66 31.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 117.166 0.483 . . . . 0.0 110.766 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -148.08 153.56 39.06 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.851 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -110.01 147.32 33.74 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.632 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -120.44 144.74 47.79 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -178.094 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 31.84 27.17 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.98 HG21 ' O ' ' A' ' 12' ' ' ASP . 8.0 p -106.38 150.56 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 C-N-CA 119.896 -0.721 . . . . 0.0 112.676 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 9' ' ' VAL . 6.5 m -58.44 -36.9 74.38 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.259 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' ' 9' ' ' VAL . . . -159.72 -43.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.499 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.98 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -125.94 119.98 29.18 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -179.697 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.958 ' HB2' ' HB ' ' A' ' 9' ' ' VAL . . . -150.51 165.97 31.62 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.506 -1.224 . . . . 0.0 110.487 176.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.953 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -43.51 131.56 6.05 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 119.629 -1.272 . . . . 0.0 110.027 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.549 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 1.3 m-85 -105.29 152.08 23.34 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.691 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.631 ' HE1' HD21 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -109.36 124.16 50.51 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.721 ' HA ' ' O ' ' A' ' 3' ' ' GLY . . . -121.0 163.69 17.9 Favored 'General case' 0 CA--C 1.491 -1.326 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.378 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.443 ' CD2' ' CG ' ' A' ' 133' ' ' LYS . 7.5 m-85 -134.31 154.39 51.34 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.341 -177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.477 ' HA3' HG12 ' A' ' 132' ' ' ILE . . . -114.64 -141.72 7.68 Favored Glycine 0 CA--C 1.487 -1.695 0 CA-C-O 122.449 1.027 . . . . 0.0 113.632 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.483 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 175.12 -29.23 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 112.716 -1.742 . . . . 0.0 108.882 -177.621 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 7.8 t70 -150.37 33.04 0.64 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.452 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.736 ' H ' HD11 ' A' ' 132' ' ' ILE . 1.0 OUTLIER 74.49 -58.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.957 -179.216 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 3.3 mt-10 -58.12 -31.17 66.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.04 0.447 . . . . 0.0 109.978 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' A' ' 20' ' ' HIS . 3.4 tp10 -64.79 -47.36 78.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.395 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 22' ' ' LEU . 9.3 p -66.57 -38.88 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.68 ' CZ ' HD22 ' A' ' 62' ' ' LEU . 21.8 m-85 -65.82 -43.72 87.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.825 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.567 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -55.21 -38.71 68.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.356 179.401 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.57 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 30.3 m-20 -70.2 -26.96 64.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.21 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.979 ' HB1' ' CE2' ' A' ' 65' ' ' TRP . . . -64.39 -35.14 79.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.568 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.702 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -73.3 -22.56 60.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.896 0.379 . . . . 0.0 110.765 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.749 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -73.88 -32.51 63.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.613 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -54.03 -52.28 61.33 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.11 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.686 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 2.3 m-85 -71.92 -39.48 69.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.518 ' HB2' HD13 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -53.38 -33.01 52.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.002 0.43 . . . . 0.0 110.475 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 114' ' ' GLU . 21.9 t -73.0 -30.57 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.332 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.59 ' O ' HG22 ' A' ' 38' ' ' THR . 5.3 mmm -75.27 -33.34 61.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.534 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.781 HG21 ' CD ' ' A' ' 112' ' ' ARG . 5.4 t 48.53 -174.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.625 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 38' ' ' THR . 35.8 t0 81.79 -15.09 0.74 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.943 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -72.08 -21.72 61.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.144 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 t -69.06 -2.97 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.797 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -124.32 15.48 9.0 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.688 0.28 . . . . 0.0 111.38 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.564 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 59.5 t -119.02 135.04 60.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.062 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 4.1 mt-10 -78.87 -80.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.603 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.743 ' HB1' ' SD ' ' A' ' 101' ' ' MET . . . 175.13 104.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.544 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -87.47 -56.33 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.79 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.817 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.3 mm-40 -131.17 142.12 50.17 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 101' ' ' MET . 25.6 tt0 -120.36 122.47 40.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.951 0.405 . . . . 0.0 111.192 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -122.38 144.53 48.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.492 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -102.54 142.03 34.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.04 0.448 . . . . 0.0 110.95 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.546 HG11 ' HG2' ' A' ' 68' ' ' GLU . 21.5 t -119.47 146.87 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.576 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.524 ' HG3' HG23 ' A' ' 97' ' ' THR . 0.1 OUTLIER -126.44 143.94 51.01 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.009 HD12 HD13 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -139.91 146.12 25.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.014 -178.736 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.41 114.08 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.258 0.551 . . . . 0.0 110.632 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.488 ' HB3' HD12 ' A' ' 61' ' ' LEU . 41.5 t -121.02 164.29 16.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.784 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -152.4 54.0 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 111.046 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.9 t0 -178.86 10.79 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 63.92 -69.88 0.08 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.705 0.288 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 57' ' ' ASP . 29.5 m -54.43 -43.25 62.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.765 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 59' ' ' VAL . 33.1 t -63.81 -34.54 78.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.252 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.938 HD12 ' HB3' ' A' ' 94' ' ' LEU . 1.9 tt -53.93 -34.66 60.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.756 ' O ' ' HE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -64.67 -49.38 71.22 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.492 178.733 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -54.22 -34.69 61.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.27 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.456 ' HB3' HG21 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -79.09 -9.56 59.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.158 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.979 ' CE2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -73.04 -54.42 8.6 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.449 -179.583 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.853 HD12 ' CH2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -73.85 -43.81 57.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.769 -178.233 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -33.05 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.143 0.497 . . . . 0.0 109.728 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.546 ' HG2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -69.13 -40.2 78.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.65 178.619 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.702 HD21 ' HB1' ' A' ' 30' ' ' ALA . 8.1 mp -72.03 -32.14 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.482 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -52.61 53.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.477 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -50.4 32.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.563 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 68' ' ' GLU . 2.7 tt -53.74 -34.33 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.897 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -53.02 30.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.076 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -73.63 -33.63 64.62 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 120.775 0.322 . . . . 0.0 110.139 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -18.84 64.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 78' ' ' ILE . 3.4 pt-20 -163.67 73.11 0.29 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.162 178.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -46.36 93.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.439 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.938 HG22 ' HA ' ' A' ' 103' ' ' GLU . 21.2 pt -112.33 124.51 69.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.621 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.893 ' O ' HG22 ' A' ' 40' ' ' THR . 0.4 OUTLIER -73.46 -41.18 63.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.014 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.734 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 1.3 t80 -119.46 141.8 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.759 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.732 ' OG ' ' HB1' ' A' ' 100' ' ' ALA . 1.7 t -154.32 130.4 10.3 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.534 -0.467 . . . . 0.0 112.195 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -86.22 136.96 32.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.469 ' CD1' ' CB ' ' A' ' 30' ' ' ALA . 5.8 m-85 -105.47 120.75 42.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.98 0.895 . . . . 0.0 113.153 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.53 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -134.23 114.69 13.31 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 176.607 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.567 HG11 ' N ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -112.97 148.81 15.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.59 0.71 . . . . 0.0 112.498 -178.026 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.62 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.7 tttm -130.35 132.81 46.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.93 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.0 mt -128.5 129.47 68.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.535 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.88 122.01 23.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.949 0.404 . . . . 0.0 111.787 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.502 ' HG2' HD13 ' A' ' 94' ' ' LEU . 6.9 mt-10 -105.48 114.21 28.25 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.173 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -131.13 -169.46 2.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.88 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.42 11.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.592 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -109.51 -18.25 13.56 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.836 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.796 ' O ' HD22 ' A' ' 94' ' ' LEU . . . 125.49 -106.16 0.87 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.552 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.938 ' HB3' HD12 ' A' ' 61' ' ' LEU . 3.0 mm? -135.73 133.15 37.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.841 0.353 . . . . 0.0 111.639 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -127.55 142.43 51.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.263 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.009 HD13 HD12 ' A' ' 53' ' ' ILE . 1.6 tt -127.75 129.32 46.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.777 0.322 . . . . 0.0 111.228 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.69 ' N ' HD23 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -124.75 119.26 28.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.844 0.354 . . . . 0.0 110.11 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.94 148.51 17.05 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.332 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 m -119.13 142.54 47.84 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 111.911 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.732 ' HB1' ' OG ' ' A' ' 81' ' ' SER . . . -140.75 133.29 28.6 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.472 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.817 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 7.5 ttt -124.58 146.0 49.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.54 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.514 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 110.61 80.97 1.17 Allowed Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.108 -1.044 . . . . 0.0 111.392 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.938 ' HA ' HG22 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -116.06 161.96 18.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.803 0.335 . . . . 0.0 111.589 -178.646 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 103' ' ' GLU . 3.9 tt0 92.81 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.179 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.693 ' HA ' HD11 ' A' ' 79' ' ' LEU . 7.3 tt -72.69 137.93 22.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.224 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -97.65 138.82 34.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.675 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.79 127.57 32.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.84 38.34 73.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.488 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.417 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 9.1 t-160 -83.53 102.6 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.777 0.323 . . . . 0.0 111.071 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 61.18 124.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.044 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -108.68 121.03 44.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.781 ' CD ' HG21 ' A' ' 38' ' ' THR . 0.0 OUTLIER -148.15 -179.39 6.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.522 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -89.75 127.46 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.717 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.547 ' HA ' HG12 ' A' ' 36' ' ' VAL . 1.4 mt-10 -121.66 143.79 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 115' ' ' VAL . 11.0 p -70.2 114.7 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.406 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -85.8 19.44 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.559 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.534 ' H ' HG22 ' A' ' 115' ' ' VAL . . . -161.22 90.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.724 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.454 HG13 HD13 ' A' ' 138' ' ' LEU . 85.1 t -90.26 109.09 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.823 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 137' ' ' ILE . 2.9 m -113.07 129.9 56.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.838 -178.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 28.3 p90 -74.1 65.44 1.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 178.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.703 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 1.3 t-80 -62.03 -44.08 97.46 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.538 ' SD ' HD13 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -121.67 -62.33 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.743 0.306 . . . . 0.0 110.427 179.794 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.512 ' CG ' HG22 ' A' ' 136' ' ' VAL . 25.0 mtt 47.7 51.83 13.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.23 0.538 . . . . 0.0 110.389 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.58 162.78 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.658 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.701 HG23 ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -116.97 119.07 60.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 111.605 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.631 HD21 ' HE1' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -103.53 136.46 43.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.772 178.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.9 OUTLIER -98.69 122.4 41.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.06 0.457 . . . . 0.0 111.828 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -124.68 119.65 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.473 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 59.06 22.19 10.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.24 0.79 73.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.052 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.1 OUTLIER -100.24 145.3 28.23 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.499 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.736 HD11 ' H ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.97 142.24 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.131 0.491 . . . . 0.0 111.814 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -133.96 137.61 44.94 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.923 178.119 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.587 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -110.21 137.93 47.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.575 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -140.07 121.57 15.15 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -179.028 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.953 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 96.7 t -130.46 115.11 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.425 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.878 ' C ' HD23 ' A' ' 138' ' ' LEU . 1.9 mp -82.65 133.07 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-O 121.234 0.54 . . . . 0.0 110.501 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.931 HD21 HG12 ' A' ' 136' ' ' VAL . 1.2 mt -125.04 151.87 45.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.063 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.494 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -83.81 112.6 20.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.294 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.485 HD23 HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.382 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tpt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.854 0.359 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -94.91 -29.68 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . 90.24 -6.82 82.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.877 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 2.8 p90 -107.05 140.01 40.55 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.474 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.95 134.51 20.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.898 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.481 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 9.8 p90 -114.44 147.55 39.1 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 14' ' ' GLY . 1.3 p90 -108.81 140.03 42.82 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.393 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.34 103.96 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -106.51 150.82 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.237 177.46 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.628 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 92.6 m -88.33 108.93 19.59 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.699 -0.401 . . . . 0.0 109.958 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.628 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 105.39 -44.23 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.32 0.581 . . . . 0.0 109.774 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.814 ' HB2' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.67 168.39 12.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.335 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.732 ' C ' HD13 ' A' ' 137' ' ' ILE . . . -149.0 120.24 7.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.526 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.713 ' N ' HD13 ' A' ' 137' ' ' ILE . . . -115.06 127.84 7.84 Favored Glycine 0 CA--C 1.508 -0.359 0 C-N-CA 120.117 -1.04 . . . . 0.0 110.855 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.658 ' HD2' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.41 147.27 29.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.402 0.62 . . . . 0.0 111.387 -178.312 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CE2' ' HB3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -111.58 125.36 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.673 179.459 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -126.43 156.99 39.74 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.365 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.624 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -126.15 159.6 32.47 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.329 -178.244 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.79 ' CA ' HD11 ' A' ' 132' ' ' ILE . . . -118.35 -162.57 12.29 Favored Glycine 0 CA--C 1.476 -2.368 0 CA-C-O 123.142 1.412 . . . . 0.0 113.912 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.505 ' H ' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -140.19 4.47 2.03 Favored 'General case' 0 N--CA 1.407 -2.583 0 CA-C-N 111.343 -2.429 . . . . 0.0 109.061 -179.071 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -176.67 34.7 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.548 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.562 ' O ' HG12 ' A' ' 25' ' ' VAL . 4.9 mp 67.69 -57.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.76 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.601 ' HB2' HG22 ' A' ' 85' ' ' VAL . 8.9 pm0 -62.45 -31.42 72.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.187 0.518 . . . . 0.0 109.973 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.505 ' HB2' ' H ' ' A' ' 20' ' ' HIS . 59.7 mm-40 -58.43 -43.94 88.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.398 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 22' ' ' LEU . 4.0 p -73.5 -38.5 52.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.377 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.67 ' HE1' HD12 ' A' ' 125' ' ' ILE . 7.1 m-85 -55.11 -42.9 73.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 0.0 110.45 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.952 ' HG3' HG13 ' A' ' 85' ' ' VAL . 6.3 mt-10 -57.51 -36.78 71.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.166 0.508 . . . . 0.0 109.736 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.45 -27.06 63.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.078 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.84 -42.01 64.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -90.88 -21.83 21.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.96 -37.12 48.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.658 ' HB1' ' HD2' ' A' ' 15' ' ' PHE . . . -58.47 -48.64 80.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.776 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.549 ' HE3' HD22 ' A' ' 69' ' ' LEU . 2.7 ptt? -71.95 -35.78 69.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.01 -36.4 69.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.56 -32.82 70.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.643 HG12 ' HB2' ' A' ' 113' ' ' ASP . 21.1 t -87.89 -31.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.993 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.445 ' HG3' HG21 ' A' ' 115' ' ' VAL . 26.9 mtp -78.69 -30.17 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.42 HG21 ' CB ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -160.75 -168.81 2.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.6 98.39 5.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.652 HG22 ' HB2' ' A' ' 80' ' ' PHE . 1.7 p -71.98 -21.68 61.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.68 -22.46 1.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.733 0.301 . . . . 0.0 111.081 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mp -105.82 38.75 1.92 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.616 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.1 p -91.27 114.71 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.281 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 -7.01 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.302 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.73 103.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.94 -19.83 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.639 ' O ' ' HA ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -148.93 169.52 20.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.958 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -143.24 124.06 14.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 99' ' ' THR . 4.8 mmm180 -121.0 152.53 38.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.447 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -123.78 142.82 50.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.919 0.39 . . . . 0.0 111.168 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.512 HG11 ' HG2' ' A' ' 68' ' ' GLU . 21.5 t -133.05 148.8 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.678 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.86 142.2 51.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.715 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.81 152.2 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.83 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.576 HG22 ' NE2' ' A' ' 95' ' ' HIS . 17.4 p -121.64 114.27 20.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.45 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 94' ' ' LEU . 30.2 t -120.84 163.92 17.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.337 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -151.93 40.1 0.63 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.772 0.32 . . . . 0.0 111.323 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' VAL . 0.6 OUTLIER -175.95 19.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 62.94 -69.35 0.07 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.775 0.321 . . . . 0.0 111.067 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.893 ' HA ' HG22 ' A' ' 125' ' ' ILE . 11.9 p -54.19 -45.08 66.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.474 ' N ' HG13 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -57.9 -38.31 75.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.488 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.517 HD12 HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.08 -36.57 70.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.984 0.421 . . . . 0.0 109.954 179.331 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.406 HD23 ' HB ' ' A' ' 125' ' ' ILE . 0.1 OUTLIER -71.97 -43.64 64.84 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.073 179.069 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.4 -35.03 74.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.682 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.91 -24.39 23.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.36 -53.08 61.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 111.003 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 HG11 ' A' ' 136' ' ' VAL . 0.5 OUTLIER -72.91 -41.21 64.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -179.669 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -51.1 -33.14 24.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.132 0.492 . . . . 0.0 109.842 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.512 ' HG2' HG11 ' A' ' 51' ' ' VAL . 1.2 tp10 -68.67 -35.89 77.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.779 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.67 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -71.17 -31.76 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.52 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.51 HD21 HG23 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -56.88 -50.28 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.699 -179.629 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -52.18 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.872 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.575 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 tp -54.27 -33.84 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.718 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 77' ' ' PHE . 5.4 t-80 -49.97 -52.55 32.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.139 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.14 -30.25 63.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 0.0 110.286 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.1 m -64.17 -19.1 65.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 78' ' ' ILE . 1.0 OUTLIER -166.05 70.21 0.13 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.713 178.72 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.651 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -49.4 92.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.565 179.644 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.784 HG21 ' CB ' ' A' ' 103' ' ' GLU . 2.5 pt -112.04 124.16 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.29 0.567 . . . . 0.0 111.13 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.805 ' HG ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -49.91 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.558 -179.22 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.652 ' HB2' HG22 ' A' ' 40' ' ' THR . 30.6 p90 -122.17 141.94 50.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 111.447 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -154.25 161.95 41.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.9 144.55 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 69' ' ' LEU . 51.1 m-85 -124.94 123.36 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.311 0.577 . . . . 0.0 112.113 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.401 ' HG2' ' HB ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -126.7 115.85 20.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.981 178.641 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.952 HG13 ' HG3' ' A' ' 27' ' ' GLU . 1.2 m -110.14 149.71 13.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.431 0.634 . . . . 0.0 111.24 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 97' ' ' THR . 5.1 tttp -127.79 119.13 25.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.672 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.677 ' CG2' HD21 ' A' ' 94' ' ' LEU . 6.5 mt -109.8 124.29 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.013 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.3 123.8 26.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.727 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -77.22 114.58 16.18 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.543 ' C ' ' H ' ' A' ' 92' ' ' ASP . 6.7 mmtp -75.12 -169.56 0.97 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.761 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.65 5.75 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER 171.23 -33.27 0.0 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.812 0.339 . . . . 0.0 110.357 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.65 -151.91 27.32 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.756 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.677 HD21 ' CG2' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -135.99 133.89 37.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.852 0.358 . . . . 0.0 111.8 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.576 ' NE2' HG22 ' A' ' 54' ' ' THR . 1.0 OUTLIER -127.26 120.65 29.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.942 178.835 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.715 HD22 ' CD1' ' A' ' 53' ' ' ILE . 9.8 tt -109.55 139.93 43.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.496 . . . . 0.0 111.802 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -123.11 119.26 29.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.782 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' A' ' 85' ' ' VAL . . . -118.6 148.48 18.42 Favored Glycine 0 C--N 1.32 -0.314 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.37 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 3.3 m -129.59 142.44 50.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.561 0.22 . . . . 0.0 111.242 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.93 131.66 35.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.066 0.46 . . . . 0.0 111.414 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 4.1 ptt? -131.82 155.74 47.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.599 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.02 34.75 7.45 Favored Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.357 -0.925 . . . . 0.0 111.235 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.784 ' CB ' HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -94.5 116.27 28.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.29 -0.455 . . . . 0.0 111.302 -178.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -179.78 98.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.367 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.805 HD12 ' HG ' ' A' ' 79' ' ' LEU . 7.3 tp -72.54 130.91 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.184 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.01 156.24 22.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -30.3 64.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -115.77 58.46 0.46 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.421 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.66 ' CB ' HD23 ' A' ' 79' ' ' LEU . 38.3 p-80 -59.29 141.91 53.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 0.0 110.771 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 38' ' ' THR . 0.7 OUTLIER -57.53 120.72 8.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -108.78 102.62 11.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -95.69 -72.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.643 ' HB2' HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -113.1 159.15 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.758 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.73 103.7 16.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.401 . . . . 0.0 111.097 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.477 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . 24.0 t -111.46 109.74 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.668 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -65.27 -26.87 68.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.347 -179.67 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.09 -172.63 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.925 0.393 . . . . 0.0 111.36 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.966 HG12 HD12 ' A' ' 138' ' ' LEU . 4.1 m -118.35 113.22 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.607 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.7 m -115.09 104.54 11.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 111.561 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -37.81 101.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.534 179.3 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.686 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 20.1 t-160 -55.13 -37.43 66.9 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 122.447 1.118 . . . . 0.0 108.634 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.406 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 178.61 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 112.922 -1.945 . . . . 0.0 107.845 -179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.448 ' SD ' HD13 ' A' ' 66' ' ' LEU . 3.1 mtm 54.13 56.0 7.56 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.176 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.686 ' HA ' HG23 ' A' ' 59' ' ' VAL . 29.0 mt-10 -117.52 134.39 54.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.131 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.893 HG22 ' HA ' ' A' ' 59' ' ' VAL . 9.6 tt -96.29 112.27 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.009 0.433 . . . . 0.0 110.928 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 126' ' ' LEU . 3.5 mm? -104.63 136.38 44.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.195 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.602 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 13.5 p-10 -106.73 121.84 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.061 0.458 . . . . 0.0 111.274 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.85 127.19 46.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.55 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 57.75 21.44 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 111.084 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 90.98 0.51 74.45 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.694 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.8 OUTLIER -98.61 145.69 26.59 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.896 ' H ' HD13 ' A' ' 132' ' ' ILE . 0.2 OUTLIER -100.56 143.23 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 CA-C-O 120.802 0.334 . . . . 0.0 111.867 -179.347 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -134.68 136.13 42.54 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.062 177.497 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -125.38 138.46 54.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.585 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.457 ' HB3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -116.77 119.91 36.9 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.699 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.777 HG11 HD11 ' A' ' 66' ' ' LEU . 23.2 t -130.44 116.5 35.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.845 ' O ' HD13 ' A' ' 138' ' ' LEU . 0.8 OUTLIER -85.28 140.41 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.152 0.981 . . . . 0.0 110.523 177.68 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.966 HD12 HG12 ' A' ' 118' ' ' VAL . 0.9 OUTLIER -128.64 151.88 49.0 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.983 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -81.38 112.1 18.35 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.298 -177.664 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' A' ' 13' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.657 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 mtm . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.953 0.406 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -133.7 -65.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.971 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.87 10.42 85.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.688 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.571 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 14.0 p90 -141.9 139.56 32.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.76 0.314 . . . . 0.0 110.732 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -147.42 130.53 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.652 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 12.4 p90 -111.75 147.14 36.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.937 0.399 . . . . 0.0 111.634 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.0 140.22 42.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.111 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.98 107.37 5.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -106.32 151.08 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.908 178.393 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.627 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 91.3 m -90.23 104.94 17.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.203 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 109.7 -46.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.591 0.71 . . . . 0.0 109.581 -178.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.756 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -119.37 169.6 9.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.87 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 138' ' ' LEU . . . -146.17 121.37 10.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.445 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.962 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -117.77 137.06 12.9 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.086 -1.054 . . . . 0.0 112.946 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.545 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.22 155.39 19.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.587 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.571 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -111.31 140.81 45.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.28 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.91 ' HB1' ' HB3' ' A' ' 28' ' ' ASN . . . -119.76 136.82 54.29 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.541 0.686 . . . . 0.0 110.036 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.473 ' CE1' ' HG2' ' A' ' 133' ' ' LYS . 47.1 m-85 -112.97 152.27 29.59 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.942 -177.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.577 ' N ' HG13 ' A' ' 25' ' ' VAL . . . -129.77 -172.48 13.16 Favored Glycine 0 CA--C 1.473 -2.591 0 CA-C-O 122.918 1.288 . . . . 0.0 113.625 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -147.77 0.07 0.64 Allowed 'General case' 0 N--CA 1.408 -2.572 0 CA-C-N 111.809 -2.195 . . . . 0.0 110.47 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 4.5 t70 -178.73 34.36 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.769 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.1 mt 72.5 -57.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.001 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.0 mt-10 -57.51 -31.33 65.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.365 0.602 . . . . 0.0 110.386 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 1.8 mm-40 -66.58 -47.28 73.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.043 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.67 HG11 ' HB ' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -62.71 -52.24 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.669 -179.366 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' HB2' HG21 ' A' ' 85' ' ' VAL . 50.5 m-85 -49.86 -37.58 31.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.237 0.541 . . . . 0.0 110.173 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -69.86 -40.89 75.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.665 179.004 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.91 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 11.9 t-20 -70.65 -27.34 63.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.103 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' HB3' ' HE1' ' A' ' 65' ' ' TRP . . . -52.77 -49.41 65.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.385 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.443 ' HB1' ' CZ ' ' A' ' 83' ' ' PHE . . . -73.02 -27.76 61.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.908 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' HA ' ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -54.95 -31.34 60.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.403 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -68.72 -53.51 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 0.0 111.356 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.662 ' SD ' HD21 ' A' ' 66' ' ' LEU . 22.4 ptm -72.16 -41.49 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.131 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.914 ' CD2' HG21 ' A' ' 40' ' ' THR . 0.0 OUTLIER -66.55 -33.14 75.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.582 0.229 . . . . 0.0 111.552 -178.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.489 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -65.62 -30.83 71.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 m -99.74 -36.62 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.456 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.694 ' O ' HG23 ' A' ' 38' ' ' THR . 1.6 mmt -54.49 -22.84 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.393 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 37' ' ' MET . 0.2 OUTLIER 176.8 170.21 0.5 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.881 0.372 . . . . 0.0 111.091 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -96.85 87.74 4.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.615 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.914 HG21 ' CD2' ' A' ' 34' ' ' PHE . 1.7 p -71.97 -21.56 61.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.428 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.541 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 1.2 m -62.22 76.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.74 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER 170.93 -8.39 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.744 179.327 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.682 HG23 HD22 ' A' ' 42' ' ' LEU . 16.7 t -116.72 134.91 58.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.809 0.338 . . . . 0.0 110.74 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -79.04 -81.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.468 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 178.47 101.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.983 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.68 -2.68 26.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.22 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 103' ' ' GLU . 9.6 tp10 -149.49 168.47 23.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -178.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.05 141.3 31.27 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.976 0.417 . . . . 0.0 111.214 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.3 mmm180 -141.33 141.79 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.201 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -118.99 142.95 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 0.0 111.258 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.7 t -132.21 143.72 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.75 139.38 53.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.03 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.82 HD12 HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -139.72 151.94 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.079 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 m -122.09 114.44 20.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.782 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.634 ' HB3' HD23 ' A' ' 61' ' ' LEU . 15.1 t -120.79 163.88 17.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.321 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -141.58 29.94 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.636 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' VAL . 11.2 t70 -175.45 26.43 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.427 ' C ' HD11 ' A' ' 125' ' ' ILE . 1.4 mtm105 63.84 -67.39 0.1 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.834 0.35 . . . . 0.0 111.538 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 125' ' ' ILE . 25.0 m -54.04 -42.11 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.759 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -56.26 -40.21 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.884 -179.822 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.82 HD11 HD12 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -54.09 -52.88 59.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.799 0.333 . . . . 0.0 110.106 179.349 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.997 HD23 HG23 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -52.58 -41.71 63.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.048 0.452 . . . . 0.0 110.022 179.104 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -55.7 -35.1 65.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.374 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -97.3 -26.29 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.307 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.583 ' HE3' HD11 ' A' ' 53' ' ' ILE . 24.7 t-105 -59.15 -53.05 62.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.952 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.662 HD21 ' SD ' ' A' ' 33' ' ' MET . 0.4 OUTLIER -71.53 -45.05 63.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.33 -33.22 28.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.184 0.516 . . . . 0.0 109.61 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.57 -37.59 82.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.726 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' HA ' HG22 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -70.0 -31.93 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.565 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -58.23 -50.97 71.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.595 -179.512 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -52.14 20.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.867 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -53.91 -34.56 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.763 -179.435 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.414 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -50.33 -52.8 33.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.118 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -29.32 62.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.319 . . . . 0.0 110.318 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -63.66 -17.66 63.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.866 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -168.7 65.25 0.06 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.067 178.784 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.648 ' O ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -55.24 94.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.038 179.14 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 76' ' ' GLU . 12.6 pt -111.77 144.21 20.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.638 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.865 HD11 ' HA ' ' A' ' 109' ' ' HIS . 0.2 OUTLIER -62.64 -45.13 94.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.135 -179.115 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.524 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -119.78 144.77 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.166 0.508 . . . . 0.0 111.693 -178.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.4 t -154.32 130.51 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.894 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -91.04 150.61 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CZ ' ' HB1' ' A' ' 30' ' ' ALA . 25.8 m-85 -123.67 122.52 38.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.721 0.772 . . . . 0.0 112.403 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.54 115.27 15.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 177.68 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.529 HG11 ' N ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -110.42 148.89 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.957 0.884 . . . . 0.0 112.749 -177.825 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 97' ' ' THR . 4.4 tptm -130.38 139.61 50.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.332 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.505 HG13 ' HG3' ' A' ' 23' ' ' GLU . 96.2 mt -123.97 124.04 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.315 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -133.42 122.8 24.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.562 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -98.09 114.09 26.17 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.416 0.627 . . . . 0.0 109.706 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -120.67 -169.42 1.81 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.43 -179.443 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.12 8.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.773 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -121.21 39.71 3.76 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.475 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.36 -104.0 2.0 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.224 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.758 HD12 ' N ' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -136.44 141.22 43.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.6 0.238 . . . . 0.0 110.52 179.4 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.758 ' N ' HD12 ' A' ' 94' ' ' LEU . 16.6 t-80 -127.58 143.88 51.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.807 HD13 ' CD1' ' A' ' 61' ' ' LEU . 9.4 tt -121.41 138.46 54.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.656 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.19 119.68 30.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.417 179.373 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -121.14 148.38 17.45 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.349 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -123.84 142.8 50.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.801 0.334 . . . . 0.0 111.54 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 49' ' ' ARG . . . -134.27 132.76 40.01 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.078 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.516 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.53 154.96 47.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.037 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.726 ' O ' HD12 ' A' ' 78' ' ' ILE . . . 104.88 60.52 0.65 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.859 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.4 tt0 -94.91 115.67 27.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.657 0.265 . . . . 0.0 110.874 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 1.3 tt0 168.41 98.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.648 HD13 ' O ' ' A' ' 77' ' ' PHE . 10.9 tp -86.89 127.63 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.738 ' H ' HD12 ' A' ' 79' ' ' LEU . 4.9 tttt -92.93 157.16 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.119 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.15 -54.97 40.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.12 57.38 3.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.315 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.865 ' HA ' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.27 106.72 0.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.949 0.405 . . . . 0.0 111.046 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 38' ' ' THR . 54.0 mt-10 -58.44 121.46 10.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -108.76 132.26 54.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.24 -76.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.02 159.06 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -116.78 110.92 19.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.418 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.829 ' HA ' ' OXT' ' A' ' 140' ' ' LEU . 12.7 p -111.13 112.25 39.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.351 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 140' ' ' LEU . 12.5 ptmt -63.47 -24.01 67.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.782 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.28 170.18 3.12 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 70' ' ' LEU . 8.0 p -117.89 108.88 25.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.591 178.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 121' ' ' HIS . 38.3 m -115.1 130.65 56.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.443 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 119' ' ' THR . 7.8 p90 -28.88 86.04 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.557 0.694 . . . . 0.0 111.336 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.913 ' NE2' HG13 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -77.19 -44.99 28.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.366 -178.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.516 ' HB3' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 171.56 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.804 ' HG2' HD12 ' A' ' 62' ' ' LEU . 6.5 ttm 43.8 63.14 1.68 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.728 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -141.48 143.52 33.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.104 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.997 HG23 HD23 ' A' ' 62' ' ' LEU . 5.8 pt -96.46 113.44 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 111.466 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.725 HD13 ' N ' ' A' ' 127' ' ' ASP . 0.4 OUTLIER -103.36 136.38 43.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.961 179.328 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.725 ' N ' HD13 ' A' ' 126' ' ' LEU . 2.0 p30 -101.39 122.5 43.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.1 0.476 . . . . 0.0 111.915 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -124.55 127.26 47.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.463 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 t0 59.27 20.32 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.985 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.07 0.64 73.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.053 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 13.6 mt -100.26 145.18 28.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.67 ' HB ' HG11 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -100.9 136.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.943 0.401 . . . . 0.0 111.925 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -134.31 137.07 43.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.198 178.15 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . . . -113.48 148.98 34.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.729 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD2' ' HB3' ' A' ' 122' ' ' MET . 0.0 OUTLIER -128.38 120.32 26.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.962 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 15.6 t -130.97 114.06 26.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.499 176.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.802 ' C ' HD23 ' A' ' 138' ' ' LEU . 0.2 OUTLIER -106.83 115.57 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.43 1.492 . . . . 0.0 109.567 177.536 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.928 HD21 HG12 ' A' ' 136' ' ' VAL . 1.1 mt -105.32 152.89 22.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.161 0.505 . . . . 0.0 112.204 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.85 112.86 19.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.0 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.829 ' OXT' ' HA ' ' A' ' 115' ' ' VAL . 9.1 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.631 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 ttp . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.846 0.355 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -79.22 -22.59 44.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . 95.31 11.75 55.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.709 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -104.48 140.01 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.372 . . . . 0.0 111.048 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -146.49 144.37 29.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.236 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.472 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 7.3 p90 -114.37 147.6 38.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.98 0.419 . . . . 0.0 111.958 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CE1' ' HA3' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -108.88 140.11 42.81 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.623 178.793 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -77.84 100.03 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.741 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.3 t -106.67 151.04 8.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.733 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.626 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.7 m -94.74 106.25 18.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.096 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.626 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 110.52 -43.59 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.433 0.635 . . . . 0.0 109.446 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.797 ' HB2' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.86 168.64 12.49 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.211 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.683 ' C ' HD13 ' A' ' 137' ' ' ILE . . . -147.96 120.09 8.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.427 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.718 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -116.51 136.31 12.72 Favored Glycine 0 CA--C 1.507 -0.419 0 C-N-CA 120.096 -1.049 . . . . 0.0 111.353 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.769 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -105.94 147.99 28.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.094 0.473 . . . . 0.0 110.589 -179.504 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.489 ' HA ' ' O ' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -120.25 125.3 47.76 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.975 179.538 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -123.19 149.69 44.32 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.151 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.586 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -113.16 146.83 38.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.769 -178.133 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.695 ' N ' HG13 ' A' ' 25' ' ' VAL . . . -108.31 -166.96 21.21 Favored Glycine 0 CA--C 1.472 -2.611 0 CA-C-O 123.212 1.451 . . . . 0.0 114.155 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.479 ' CG ' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -145.76 6.19 1.05 Allowed 'General case' 0 N--CA 1.406 -2.633 0 CA-C-N 111.218 -2.491 . . . . 0.0 109.481 -179.052 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -177.46 27.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.293 -179.757 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.606 HD23 HG21 ' A' ' 132' ' ' ILE . 4.8 mt 74.48 -55.83 0.65 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.642 0.377 . . . . 0.0 111.455 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.568 ' HB2' HG22 ' A' ' 85' ' ' VAL . 12.2 pm0 -62.81 -31.39 72.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.368 0.604 . . . . 0.0 109.513 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HG3' ' CG ' ' A' ' 20' ' ' HIS . 3.5 mm-40 -57.43 -40.98 79.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.787 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG13 ' N ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -72.54 -44.59 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.276 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.905 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 11.5 m-85 -49.96 -45.68 51.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.914 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.798 ' CG ' HG13 ' A' ' 85' ' ' VAL . 89.2 mt-10 -54.92 -44.88 74.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.64 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -70.15 -27.45 64.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.181 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 26' ' ' PHE . . . -52.98 -25.21 11.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.353 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.74 -27.22 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD12 ' HG3' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -66.51 -42.27 87.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.769 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -52.33 -51.3 59.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.409 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.2 ttp -69.89 -47.49 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.782 ' CD2' HG21 ' A' ' 40' ' ' THR . 0.0 OUTLIER -60.62 -33.49 72.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.874 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' HG3' HD12 ' A' ' 31' ' ' LEU . 1.5 mm-40 -60.64 -39.03 86.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.721 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -85.89 -41.47 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -23.88 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 t 171.57 148.47 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.738 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -72.94 87.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.734 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.782 HG21 ' CD2' ' A' ' 34' ' ' PHE . 18.6 p -68.89 -27.91 66.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -51.91 -20.01 2.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.656 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -8.48 55.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.657 0.265 . . . . 0.0 111.406 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 80' ' ' PHE . 40.9 t -118.84 135.12 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.465 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 6.0 mm-40 -79.81 -80.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.698 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 44' ' ' GLU . . . 174.11 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.535 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -97.69 -29.79 13.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.07 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.5 mm-40 -134.51 170.18 16.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.352 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -142.28 127.84 19.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.886 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.709 ' HD2' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -130.93 150.16 52.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.255 179.663 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -115.68 142.95 46.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.112 0.482 . . . . 0.0 111.298 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.2 t -125.95 149.09 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.457 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.24 143.52 50.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.191 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.793 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.53 152.05 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.918 0.39 . . . . 0.0 111.616 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -119.46 114.53 22.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.328 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.8 t -120.58 163.51 17.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.176 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HG2' ' HA2' ' A' ' 93' ' ' GLY . 16.8 mt-10 -152.74 23.55 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.759 0.314 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.8 t0 -164.11 16.29 0.06 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.995 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 2.3 ttp-105 64.86 -65.79 0.14 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 111.326 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.928 HG23 ' CB ' ' A' ' 124' ' ' GLU . 7.4 p -54.21 -47.13 68.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.867 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.489 ' N ' HG13 ' A' ' 59' ' ' VAL . 1.4 m -57.45 -34.88 69.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.421 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.048 HD11 HD13 ' A' ' 96' ' ' LEU . 2.7 tm? -54.01 -51.24 64.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 110.652 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.672 HD22 ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -57.17 -37.91 72.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.121 0.486 . . . . 0.0 110.348 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -60.5 -35.1 75.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.208 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -98.84 -22.15 15.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.599 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.525 ' CE3' HD11 ' A' ' 53' ' ' ILE . 6.5 t-105 -62.85 -53.42 54.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.772 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -73.13 -42.44 62.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -34.14 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.141 0.496 . . . . 0.0 109.725 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.16 -45.54 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.903 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD13 HD11 ' A' ' 72' ' ' ILE . 2.9 mm? -72.18 -32.02 66.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.904 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.126 HD21 HG21 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -63.61 -52.33 61.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.735 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.921 ' O ' HG23 ' A' ' 75' ' ' THR . 1.0 OUTLIER -57.16 -52.45 65.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.677 -179.157 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 73' ' ' HIS . 2.1 pp -64.34 -44.32 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 111.768 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.503 ' N ' HD12 ' A' ' 72' ' ' ILE . 36.1 m170 -52.36 -48.31 65.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.944 0.402 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -29.1 62.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.412 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.921 HG23 ' O ' ' A' ' 71' ' ' PHE . 68.8 p -64.14 -2.24 1.96 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.688 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 75' ' ' THR . 1.5 tp10 80.18 43.8 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.203 0.525 . . . . 0.0 110.213 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.422 ' CD2' ' HB ' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -84.73 -77.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.867 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.536 ' H ' HD13 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -131.65 152.45 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.817 -178.724 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.706 HD22 ' HB3' ' A' ' 109' ' ' HIS . 7.0 tp -88.38 -39.85 13.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.101 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -119.83 144.49 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.855 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.45 130.48 10.24 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.204 -0.599 . . . . 0.0 112.185 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -85.88 128.53 34.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.631 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -105.23 122.66 46.4 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.568 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.1 114.71 14.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.231 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.798 HG13 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -111.9 150.07 14.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.497 0.665 . . . . 0.0 111.84 -177.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.651 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.4 OUTLIER -126.59 118.99 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.682 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 22' ' ' LEU . 4.5 mt -107.63 144.64 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.389 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 12.1 m-20 -131.93 121.23 23.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.021 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.75 113.04 26.37 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.807 0.813 . . . . 0.0 111.018 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.819 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -132.28 -167.95 1.97 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.323 -1.308 . . . . 0.0 108.676 179.139 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 90' ' ' LYS . 70.4 m-20 -4.13 -45.74 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.819 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER 167.31 -36.66 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.795 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.431 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -86.87 100.13 2.53 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.566 HD23 ' H ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -94.22 127.48 40.1 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.186 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -100.36 143.73 30.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.136 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.048 HD13 HD11 ' A' ' 61' ' ' LEU . 10.4 tt -110.2 141.66 42.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.651 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -119.34 119.21 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.39 178.431 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.568 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -122.65 148.82 16.93 Favored Glycine 0 C--N 1.32 -0.338 0 C-N-CA 120.926 -0.654 . . . . 0.0 114.104 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -118.79 142.7 47.47 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.463 0.305 . . . . 0.0 111.43 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.709 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . . . -135.21 132.7 38.22 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.066 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.566 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 5.4 ptm -130.64 155.36 46.69 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.062 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.541 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 97.35 55.26 1.19 Allowed Glycine 0 C--N 1.335 0.492 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.649 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.531 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.1 tt0 -92.77 115.93 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.055 0.455 . . . . 0.0 111.486 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 173.61 65.53 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.535 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.849 HD13 ' N ' ' A' ' 106' ' ' LYS . 0.2 OUTLIER -72.71 135.9 26.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.114 -179.821 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.849 ' N ' HD13 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -122.44 142.33 50.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.573 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.09 106.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.29 38.55 95.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.216 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.706 ' HB3' HD22 ' A' ' 79' ' ' LEU . 1.1 t-160 -76.48 108.11 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.242 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 60.75 115.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -108.72 137.51 46.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 -67.17 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.749 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -128.32 145.17 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -120.97 103.68 9.23 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.329 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.3 m -97.41 122.27 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.784 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -67.12 -8.68 32.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.164 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . -179.75 167.17 1.36 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.959 0.409 . . . . 0.0 111.96 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.126 HG21 HD21 ' A' ' 70' ' ' LEU . 70.3 t -118.21 108.75 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.592 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 137' ' ' ILE . 11.6 m -115.53 104.36 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.323 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.548 ' HB3' ' HE3' ' A' ' 123' ' ' MET . 10.0 p90 -42.48 110.91 0.2 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.668 ' H ' ' H ' ' A' ' 137' ' ' ILE . 2.5 t60 -55.23 -42.58 73.61 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.85 1.31 . . . . 0.0 108.159 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.423 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 31.6 tpp -165.64 -35.39 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 112.141 -2.3 . . . . 0.0 107.264 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.621 ' HG2' HG22 ' A' ' 136' ' ' VAL . 12.2 mtt 51.55 70.96 0.48 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.819 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.928 ' CB ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -157.99 146.64 19.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.316 -179.238 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 75.4 mt -96.5 114.06 32.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.23 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -103.15 136.41 42.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.529 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.7 OUTLIER -96.59 121.8 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.613 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.424 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 2.8 pp20? -125.24 126.82 45.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.065 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 t70 60.03 20.52 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 87.99 0.51 83.24 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -97.53 146.24 25.45 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.619 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.606 HG21 HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -99.96 135.81 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.214 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 24.4 mtpp -134.31 136.66 43.65 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.914 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -117.43 144.09 45.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.225 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.423 ' HD2' ' CB ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -130.26 121.74 26.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -178.424 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.772 HG11 ' CD1' ' A' ' 66' ' ' LEU . 18.6 t -130.09 116.26 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.946 ' C ' HD22 ' A' ' 138' ' ' LEU . 0.7 OUTLIER -85.7 141.55 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.8 1.24 . . . . 0.0 110.228 177.436 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.946 HD22 ' C ' ' A' ' 137' ' ' ILE . 2.6 mm? -128.76 150.89 50.1 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.701 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -82.54 136.91 34.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.479 0.656 . . . . 0.0 112.057 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.922 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.9 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt 62.99 25.9 15.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.25 -10.73 69.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.166 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 15.0 p90 -142.02 139.6 32.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.956 0.378 . . . . 0.0 111.263 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -147.22 135.16 21.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.307 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.483 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 6.6 p90 -114.55 147.31 39.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 112.117 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.458 ' CE2' ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -109.16 140.22 43.03 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.638 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -84.02 104.07 13.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.0 OUTLIER -106.45 150.89 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.608 177.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.63 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.1 m -88.03 110.86 20.93 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.63 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 104.73 -44.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.405 0.622 . . . . 0.0 109.329 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.76 ' HB2' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.88 168.25 13.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.916 179.542 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.672 ' C ' HD13 ' A' ' 137' ' ' ILE . . . -148.75 120.5 8.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.221 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.762 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -110.38 136.24 13.45 Favored Glycine 0 CA--C 1.505 -0.558 0 C-N-CA 119.677 -1.249 . . . . 0.0 111.582 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.735 ' CZ ' HG21 ' A' ' 36' ' ' VAL . 2.4 m-85 -105.75 157.4 17.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.169 0.509 . . . . 0.0 110.604 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 28.8 m95 -111.44 131.59 55.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.698 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.717 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.37 149.2 42.23 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-O 121.3 0.571 . . . . 0.0 109.788 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -112.43 159.34 18.84 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.471 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.578 ' CA ' HG13 ' A' ' 25' ' ' VAL . . . -112.16 -174.42 19.54 Favored Glycine 0 CA--C 1.489 -1.537 0 CA-C-O 122.623 1.124 . . . . 0.0 114.652 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -150.62 1.75 0.45 Allowed 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 112.393 -1.903 . . . . 0.0 110.389 -178.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 0.7 OUTLIER 165.29 37.4 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.224 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.0 HD22 HD12 ' A' ' 132' ' ' ILE . 2.9 mm? 71.66 -54.96 0.67 Allowed 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.379 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.769 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -54.86 -42.64 72.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.083 0.468 . . . . 0.0 110.121 179.187 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 1.9 tp10 -53.35 -47.6 69.24 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.578 HG13 ' CA ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -62.56 -40.3 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.723 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.942 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 60.5 m-85 -54.48 -54.18 44.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.685 0.279 . . . . 0.0 111.727 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.705 ' CG ' HG12 ' A' ' 85' ' ' VAL . 1.1 mm-40 -70.34 -32.86 70.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.767 0.317 . . . . 0.0 110.585 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.534 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 35.5 t-20 -60.86 -28.28 68.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -45.98 77.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.726 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.01 -27.65 67.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.72 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -58.14 -56.71 18.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.223 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.528 ' HB1' ' CB ' ' A' ' 15' ' ' PHE . . . -55.25 -41.3 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.347 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.8 -48.66 44.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.291 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.456 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 4.7 m-85 -65.55 -42.33 91.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HG3' HD23 ' A' ' 31' ' ' LEU . 2.1 mt-10 -53.49 -30.76 42.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.735 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 21.6 t -95.51 -39.86 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.232 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.651 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -58.79 -37.86 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 37' ' ' MET . 0.1 OUTLIER 179.09 -172.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.982 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.17 146.78 43.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -58.12 -41.02 82.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.411 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.673 ' CB ' HD13 ' A' ' 42' ' ' LEU . 15.9 t 68.95 -62.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.562 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.673 HD13 ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -149.87 34.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.628 0.252 . . . . 0.0 111.609 -179.791 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 40' ' ' THR . 13.2 t -91.34 113.83 27.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 44.6 mm-40 -94.06 16.47 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.376 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . 79.25 75.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 110.816 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.36 -44.97 20.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.313 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.568 ' O ' ' HA ' ' A' ' 101' ' ' MET . 14.6 mm-40 -114.29 170.75 8.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.088 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.76 141.02 33.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.704 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.647 ' HD2' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -137.4 122.99 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -106.26 142.83 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.742 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 97' ' ' THR . 23.8 t -130.43 146.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.75 133.65 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.695 HD11 ' CE3' ' A' ' 65' ' ' TRP . 0.3 OUTLIER -139.85 147.47 23.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.391 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.53 HG22 ' ND1' ' A' ' 95' ' ' HIS . 10.4 p -122.53 112.63 18.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.992 0.425 . . . . 0.0 110.839 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.595 ' HB3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.58 163.86 19.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.655 178.167 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -140.45 56.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.462 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.8 t0 -179.47 22.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? 60.85 -74.32 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.754 0.312 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' ASP . 33.7 m -54.23 -41.81 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -56.34 -41.22 75.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.159 179.455 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.942 HD23 ' CZ ' ' A' ' 26' ' ' PHE . 15.3 tp -53.94 -35.27 61.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.779 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.98 HD23 HG23 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -72.58 -48.56 38.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.254 179.038 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -55.37 -39.0 69.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.317 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.92 -15.0 40.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.413 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.695 ' CE3' HD11 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -72.88 -53.15 12.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.834 0.349 . . . . 0.0 111.235 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.707 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.6 OUTLIER -70.96 -42.48 69.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.112 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -33.28 20.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.183 0.516 . . . . 0.0 109.888 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.3 tp10 -67.72 -38.87 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.639 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.8 -31.85 73.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.522 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.413 HD21 HG13 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -53.52 -52.55 59.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.949 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -71.46 -44.07 65.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 68' ' ' GLU . 18.6 mt -59.48 -34.49 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.231 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -50.27 -52.95 32.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.197 -179.563 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.57 -32.49 64.17 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.805 0.336 . . . . 0.0 110.231 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.4 m -64.15 -18.68 64.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 78' ' ' ILE . 2.9 mt-10 -164.31 72.32 0.23 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.845 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.611 ' CD1' HG21 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -58.77 92.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.503 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.509 ' CG2' ' HA ' ' A' ' 103' ' ' GLU . 1.1 pt -112.98 138.0 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.841 HD21 ' HB2' ' A' ' 109' ' ' HIS . 88.4 mt -54.58 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 34' ' ' PHE . 9.9 t80 -126.28 155.39 42.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.416 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' A' ' 101' ' ' MET . 2.0 t -154.21 163.51 40.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.436 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -80.12 138.27 36.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.054 0.454 . . . . 0.0 110.094 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.586 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 51.2 m-85 -105.57 122.52 46.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 112.877 -177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.4 ' HG2' ' CB ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -132.39 125.38 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.063 177.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.769 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -126.38 150.31 31.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.997 0.903 . . . . 0.0 112.755 -177.698 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -127.85 139.75 52.44 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 113.923 -1.49 . . . . 0.0 110.71 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.4 HG13 ' CG ' ' A' ' 23' ' ' GLU . 12.8 mt -126.26 123.58 63.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.369 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -133.71 122.65 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.387 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.23 113.84 25.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.394 0.616 . . . . 0.0 109.791 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -120.16 -169.49 1.8 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.392 -179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.19 9.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.679 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 90' ' ' LYS . 3.3 m-20 -123.81 39.16 4.03 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.132 0.491 . . . . 0.0 109.885 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.64 -102.77 2.02 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.783 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.939 HD12 ' N ' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -136.58 146.93 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.939 ' N ' HD12 ' A' ' 94' ' ' LEU . 7.5 t60 -127.05 143.98 51.15 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.739 0.304 . . . . 0.0 111.579 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 61' ' ' LEU . 6.9 tt -121.39 136.19 54.99 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.349 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.652 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.97 119.71 29.52 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 178.182 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -122.58 148.65 16.94 Favored Glycine 0 C--N 1.315 -0.583 0 C-N-CA 121.083 -0.579 . . . . 0.0 113.789 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.4 ' CB ' ' HG2' ' A' ' 84' ' ' LYS . 3.2 m -128.33 142.67 51.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.814 0.34 . . . . 0.0 111.592 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.647 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . . . -140.2 132.29 27.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.72 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.568 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.98 155.03 47.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.925 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.429 ' CA ' ' HA ' ' A' ' 45' ' ' ALA . . . 104.41 54.11 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.279 -0.963 . . . . 0.0 111.539 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.526 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.3 tt0 -99.5 118.16 35.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.891 0.377 . . . . 0.0 111.24 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 177.84 82.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.058 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.611 HG21 ' CD1' ' A' ' 77' ' ' PHE . 1.1 tt -72.53 138.09 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.802 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -112.68 144.03 42.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.688 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.14 -49.16 33.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.952 0.406 . . . . 0.0 110.553 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -96.26 55.86 1.5 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.63 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.841 ' HB2' HD21 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.03 152.31 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 111.321 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 38' ' ' THR . 8.9 tp10 -66.54 132.92 49.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.416 ' HD2' ' CE1' ' A' ' 109' ' ' HIS . 0.7 OUTLIER -108.61 137.12 47.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -63.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.738 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.23 149.67 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -86.47 104.08 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 115' ' ' VAL . 14.8 p -108.18 113.09 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -65.53 -25.33 67.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.142 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 174.69 -177.23 0.09 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.946 0.403 . . . . 0.0 111.671 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.897 HG23 ' CD1' ' A' ' 138' ' ' LEU . 2.7 p -117.33 110.05 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.614 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.3 m -115.25 104.51 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.328 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 34.6 p90 -40.95 106.85 0.06 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.362 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.678 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 4.5 t60 -55.24 -38.45 68.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 122.866 1.317 . . . . 0.0 108.02 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.48 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -176.96 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 112.056 -2.338 . . . . 0.0 106.975 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.668 ' HG3' HG22 ' A' ' 136' ' ' VAL . 0.8 OUTLIER 51.33 62.84 2.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.141 178.402 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -133.33 142.99 48.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.037 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.98 HG23 HD23 ' A' ' 62' ' ' LEU . 4.1 pt -96.41 113.16 30.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.99 136.46 42.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.18 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 1.5 m-20 -97.91 122.45 41.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.003 0.43 . . . . 0.0 111.811 -178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.55 118.35 26.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.448 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.95 23.6 13.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.42 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.38 0.74 72.85 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.533 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.543 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 12.8 mt -101.99 145.73 28.87 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 1.0 HD12 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.6 136.55 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.883 -179.256 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.717 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 4.2 mttp -134.15 137.41 44.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.412 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -115.58 148.3 39.74 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.277 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HD2' ' CB ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -125.71 120.17 29.94 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -179.175 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.762 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 11.1 t -130.43 116.81 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.938 ' C ' HD22 ' A' ' 138' ' ' LEU . 0.8 OUTLIER -85.86 140.82 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.364 1.066 . . . . 0.0 110.069 177.082 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.938 HD22 ' C ' ' A' ' 137' ' ' ILE . 2.4 mm? -131.04 151.94 50.88 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.919 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 115' ' ' VAL . 0.7 OUTLIER -81.79 112.21 18.73 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.627 -177.188 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.491 ' HB3' ' HA ' ' A' ' 115' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.536 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 CA-C-O 120.503 -0.054 . . . . 0.0 113.001 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.611 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.9 p90 -141.83 139.5 32.72 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.753 0.311 . . . . 0.0 110.934 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' TRP . 10.6 pt-20 -147.26 128.11 14.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.441 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 25.8 p90 -111.9 147.57 35.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.125 0.488 . . . . 0.0 112.176 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.01 154.21 22.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.755 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -89.95 102.89 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.789 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.4 t -106.44 151.06 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.969 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.632 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 67.9 m -94.95 110.84 22.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.632 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 106.77 -45.88 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.789 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.66 168.88 12.08 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.318 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.608 ' C ' HG23 ' A' ' 137' ' ' ILE . . . -147.66 120.97 8.97 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.505 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.79 ' HA2' ' HA ' ' A' ' 137' ' ' ILE . . . -116.39 135.94 12.46 Favored Glycine 0 CA--C 1.502 -0.773 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.925 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.783 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.36 154.84 20.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.972 -0.614 . . . . 0.0 109.759 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.611 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -111.07 130.96 55.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.611 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.23 150.47 40.03 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-O 121.54 0.686 . . . . 0.0 110.376 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -112.7 159.45 18.9 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.284 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.55 ' CA ' HG13 ' A' ' 25' ' ' VAL . . . -112.08 -152.51 11.86 Favored Glycine 0 CA--C 1.492 -1.405 0 CA-C-O 122.551 1.084 . . . . 0.0 114.455 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.423 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -179.36 -28.94 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 112.479 -1.86 . . . . 0.0 109.222 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -154.95 29.9 0.41 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.339 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.006 HD22 HD12 ' A' ' 132' ' ' ILE . 0.2 OUTLIER 76.79 -56.71 0.55 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.013 -179.285 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.741 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -57.81 -33.4 68.55 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 4.7 tp10 -54.75 -47.17 74.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.797 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.55 HG13 ' CA ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -63.75 -45.5 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' HE2' HD12 ' A' ' 22' ' ' LEU . 94.5 m-85 -56.32 -54.8 41.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.761 ' HB3' HG12 ' A' ' 85' ' ' VAL . 2.8 pp20? -66.2 -32.59 74.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.59 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 8.8 t-20 -65.44 -27.61 68.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.542 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.28 98.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.25 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.342 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -59.33 -35.93 74.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.282 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.783 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -53.22 -47.99 68.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.46 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -71.8 -48.77 44.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -47.84 84.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.758 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG3' HD12 ' A' ' 31' ' ' LEU . 2.9 mt-10 -53.49 -30.55 41.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.762 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.775 HG12 ' HB2' ' A' ' 113' ' ' ASP . 17.8 t -104.07 -24.86 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 33' ' ' MET . 1.8 tpt -75.76 -24.62 56.06 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.846 0.355 . . . . 0.0 110.429 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.3 t -165.88 -167.28 1.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -125.37 88.09 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.18 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.552 ' HB ' ' HA ' ' A' ' 80' ' ' PHE . 2.6 p -68.27 -22.11 64.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.9 p -62.25 78.19 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.946 0.403 . . . . 0.0 110.975 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER 173.3 -35.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.052 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 52.9 t -96.19 134.76 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.832 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -80.8 -82.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 44' ' ' GLU . . . 175.89 103.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.702 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -97.19 -23.24 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.098 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.581 ' HB2' ' HB3' ' A' ' 103' ' ' GLU . 4.9 mm-40 -136.65 170.67 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.239 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -141.78 142.95 33.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 100' ' ' ALA . 3.0 mtp180 -141.31 147.09 37.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.34 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -123.96 142.8 50.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.912 0.387 . . . . 0.0 111.158 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 97' ' ' THR . 38.9 t -125.09 147.4 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 140.01 53.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.317 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.682 HD12 ' HG ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.75 151.42 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.259 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.8 m -121.9 113.86 20.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.699 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 94' ' ' LEU . 38.3 m -121.25 164.4 17.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.798 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -149.27 41.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' VAL . 1.5 t0 -166.3 5.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? 62.7 -70.52 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 111.216 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' ASP . 10.1 p -54.15 -35.67 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -70.73 -29.99 66.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.646 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -53.96 -39.47 65.98 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.455 HD23 HD11 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -65.75 -48.57 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.792 178.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.407 ' OH ' ' CE2' ' A' ' 120' ' ' PHE . 11.7 t80 -56.97 -34.97 68.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.866 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.76 -19.69 22.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.464 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.577 ' CE3' HD11 ' A' ' 53' ' ' ILE . 2.6 t-105 -72.72 -53.22 12.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.752 0.311 . . . . 0.0 111.254 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.093 HD13 HG11 ' A' ' 136' ' ' VAL . 0.7 OUTLIER -71.22 -41.47 70.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.885 -179.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.57 -33.77 60.8 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -36.25 83.79 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.412 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.557 ' HG ' HD11 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -65.56 -32.07 73.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.437 179.351 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.479 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -57.52 -47.26 82.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.815 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.17 -52.31 24.46 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.557 HD11 ' HG ' ' A' ' 69' ' ' LEU . 4.1 pt -58.59 -33.44 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.569 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -49.46 -51.49 35.51 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.991 -179.386 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.14 -29.57 62.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.734 0.302 . . . . 0.0 110.219 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.3 m -64.14 -18.69 64.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -167.32 68.11 0.09 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.053 178.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.655 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -62.89 95.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.149 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.724 HG21 ' HA ' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -112.33 152.77 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.955 -178.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.833 HD23 ' CD2' ' A' ' 109' ' ' HIS . 0.2 OUTLIER -65.95 -45.53 81.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.573 -178.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.587 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 2.2 t80 -119.5 147.59 44.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.511 . . . . 0.0 111.819 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.5 t -154.31 130.5 10.37 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.262 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -91.48 146.75 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 14.6 m-85 -117.07 121.48 41.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.893 0.854 . . . . 0.0 112.727 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.648 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.2 OUTLIER -133.38 135.87 44.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.242 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.761 HG12 ' HB3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -131.63 149.45 32.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.84 0.829 . . . . 0.0 112.579 -178.11 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.679 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.8 ttpt -129.63 118.96 22.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.368 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.51 HD11 ' CD2' ' A' ' 26' ' ' PHE . 9.5 mt -116.02 124.51 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.152 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -131.68 122.81 26.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.181 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.475 ' HA ' HD22 ' A' ' 94' ' ' LEU . 1.5 pt-20 -77.13 114.17 15.65 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' A' ' 92' ' ' ASP . 5.7 mmtm -75.02 -169.59 0.95 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.443 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.95 4.44 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' A' ' 90' ' ' LYS . 10.9 p-10 171.29 -32.52 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.936 0.398 . . . . 0.0 110.309 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.84 -157.66 33.89 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.183 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -135.91 145.31 46.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.511 -0.345 . . . . 0.0 111.042 -178.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.451 ' O ' ' HA ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -127.37 143.72 51.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.833 179.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.858 ' HB2' HD21 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -127.92 125.56 39.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.642 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.741 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -125.33 119.22 27.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.051 0.453 . . . . 0.0 109.845 178.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.648 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.76 148.71 17.06 Favored Glycine 0 C--N 1.317 -0.525 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.744 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.403 ' CB ' ' HG2' ' A' ' 84' ' ' LYS . 9.5 m -118.97 142.86 47.41 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.928 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ARG . . . -134.69 132.75 39.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.666 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.539 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 8.2 ptp -130.47 155.69 46.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.565 0.222 . . . . 0.0 111.33 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.451 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 97.6 64.11 0.89 Allowed Glycine 0 C--N 1.334 0.436 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.961 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.724 ' HA ' HG21 ' A' ' 78' ' ' ILE . 29.7 tt0 -109.02 116.96 32.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.031 0.443 . . . . 0.0 111.556 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.54 86.67 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.677 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.655 HD12 ' O ' ' A' ' 77' ' ' PHE . 5.3 tt -79.43 137.91 20.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.373 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -103.77 167.48 9.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.75 -44.49 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.792 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -104.61 64.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.305 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.833 ' CD2' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.32 144.7 53.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.444 ' H ' HD21 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -82.7 108.37 16.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.4 ' HD3' ' HB3' ' A' ' 109' ' ' HIS . 3.4 mmm180 -108.78 137.54 46.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -114.6 -76.83 0.57 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.775 ' HB2' HG12 ' A' ' 36' ' ' VAL . 38.6 t70 -91.78 158.69 16.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.738 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -121.09 113.5 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 111.493 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.457 HG21 HD12 ' A' ' 138' ' ' LEU . 3.1 p -111.39 129.12 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.411 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 4.0 mmtt -88.5 -19.97 25.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.995 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.29 173.73 0.08 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.579 HG13 HD13 ' A' ' 138' ' ' LEU . 0.7 OUTLIER -118.24 108.26 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.388 178.136 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 120' ' ' PHE . 1.1 m -115.93 104.25 11.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.895 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.538 ' C ' ' O ' ' A' ' 119' ' ' THR . 2.2 m-85 17.83 53.17 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.673 0.749 . . . . 0.0 110.703 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.781 ' NE2' HG13 ' A' ' 136' ' ' VAL . 0.7 OUTLIER -55.07 -44.91 75.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.619 -177.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.486 ' HB3' ' CD ' ' A' ' 135' ' ' ARG . 5.4 mmt -169.26 -63.66 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.482 ' HG3' ' C ' ' A' ' 122' ' ' MET . 0.0 OUTLIER 46.1 40.33 7.06 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.279 177.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 2.5 tt0 -114.95 134.17 55.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.302 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 134' ' ' ALA . 14.2 mm -106.06 113.15 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.973 0.416 . . . . 0.0 111.38 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.64 136.56 43.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.309 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.51 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -109.87 122.66 48.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.997 0.427 . . . . 0.0 111.637 -179.443 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -124.46 128.27 48.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.7 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.54 20.35 8.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.86 0.362 . . . . 0.0 111.259 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.17 0.66 73.62 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.197 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 14.6 mt -98.2 145.4 26.65 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 1.006 HD12 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.76 141.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.328 0.585 . . . . 0.0 111.861 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -134.16 137.66 44.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.598 178.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 125' ' ' ILE . . . -116.54 148.64 40.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.629 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -124.01 119.8 30.58 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 1.093 HG11 HD13 ' A' ' 66' ' ' LEU . 21.6 t -130.95 114.92 28.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.79 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -103.39 140.92 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.025 0.93 . . . . 0.0 109.884 176.703 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.632 HD23 ' C ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -113.99 151.58 32.17 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.127 -176.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -81.7 141.36 33.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.521 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.566 HD13 ' CA ' ' A' ' 11' ' ' ALA . 6.8 tp . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.726 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.757 -0.137 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.705 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.2 p90 -141.61 139.82 33.18 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.491 0.186 . . . . 0.0 110.767 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 16' ' ' TRP . 3.6 pt-20 -147.3 133.05 18.93 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 111.563 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -97.04 148.25 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.973 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -108.41 140.07 42.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.966 0.412 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -59.08 101.97 0.11 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.072 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 1.094 HG21 ' O ' ' A' ' 12' ' ' ASP . 2.0 p -107.17 153.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.852 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.697 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 46.4 m -106.01 56.93 0.66 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.097 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . 148.95 -60.9 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.724 0.297 . . . . 0.0 110.487 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 1.094 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.01 123.35 40.18 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.152 0.501 . . . . 0.0 111.722 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.719 ' N ' HG11 ' A' ' 9' ' ' VAL . . . -99.22 128.17 45.31 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.987 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -109.89 146.52 17.1 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.096 -1.201 . . . . 0.0 110.096 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.81 ' CE2' HG21 ' A' ' 36' ' ' VAL . 2.4 m-85 -105.71 153.44 21.84 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.003 0.43 . . . . 0.0 110.844 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.705 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -110.97 126.06 54.37 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.388 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.802 ' HB3' ' HB3' ' A' ' 134' ' ' ALA . . . -119.4 161.35 20.65 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.495 0.664 . . . . 0.0 110.682 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' C ' HG13 ' A' ' 25' ' ' VAL . 46.9 m-85 -119.65 159.6 24.11 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.35 -1.296 . . . . 0.0 111.49 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.551 ' HA3' ' CG1' ' A' ' 132' ' ' ILE . . . -116.11 177.37 16.95 Favored Glycine 0 CA--C 1.49 -1.479 0 CA-C-O 122.361 0.978 . . . . 0.0 114.213 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -147.02 4.28 0.83 Allowed 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 112.989 -1.606 . . . . 0.0 110.206 -179.293 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 0.6 OUTLIER 158.13 35.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.297 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.68 HD12 ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 72.57 -49.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 -179.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.8 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -59.19 -42.77 91.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 20' ' ' HIS . 1.2 tp10 -53.49 -47.36 69.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.691 HG21 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -66.26 -31.85 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' A' ' 22' ' ' LEU . 31.6 m-85 -60.16 -54.33 47.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.691 0.281 . . . . 0.0 111.59 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.618 ' CG ' HG12 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -67.58 -34.85 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.262 179.64 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.55 -27.26 68.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.258 0.552 . . . . 0.0 109.677 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.933 ' HB1' ' CZ2' ' A' ' 65' ' ' TRP . . . -70.08 -14.3 62.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.72 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.605 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -98.74 -13.59 20.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.667 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.794 HD12 ' CD1' ' A' ' 83' ' ' PHE . 4.9 tt -89.17 -33.27 17.1 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.541 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -48.51 -45.77 37.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 111.114 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.4 tpt -71.99 -36.68 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 2.5 m-85 -70.99 -48.21 54.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.237 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.615 ' HB2' HD23 ' A' ' 31' ' ' LEU . 1.2 tm-20 -53.46 -30.32 40.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.016 0.436 . . . . 0.0 110.546 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.81 HG21 ' CE2' ' A' ' 15' ' ' PHE . 21.8 t -89.59 -48.13 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.358 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.567 ' HG3' HG22 ' A' ' 38' ' ' THR . 17.6 ptm -47.92 -48.48 31.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.165 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.647 ' CG2' HD12 ' A' ' 79' ' ' LEU . 0.7 OUTLIER 165.33 170.16 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.17 159.15 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.035 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -58.65 -27.2 64.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.706 ' CB ' HD13 ' A' ' 42' ' ' LEU . 54.6 m 69.72 -62.17 0.43 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.387 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.706 HD13 ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -154.05 32.36 0.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 40' ' ' THR . 2.4 t -106.69 102.98 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 110.718 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -106.1 92.0 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.143 0.497 . . . . 0.0 111.261 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.403 ' HA ' ' N ' ' A' ' 102' ' ' GLY . . . 41.49 60.47 2.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.865 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -74.67 -22.88 58.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.915 0.388 . . . . 0.0 110.62 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.678 ' O ' ' HA ' ' A' ' 101' ' ' MET . 0.4 OUTLIER -148.98 170.75 17.64 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.289 -179.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HA ' ' HG3' ' A' ' 101' ' ' MET . 5.0 tt0 -142.32 122.23 13.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.186 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.49 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -121.15 141.98 50.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.698 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 142.99 45.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.968 0.413 . . . . 0.0 111.483 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG11 ' HG2' ' A' ' 68' ' ' GLU . 6.7 t -130.56 144.7 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.609 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HG3' HG23 ' A' ' 97' ' ' THR . 5.3 mt-10 -125.77 138.84 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.696 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -140.0 143.71 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.419 ' OG1' ' CE1' ' A' ' 95' ' ' HIS . 1.2 m -122.34 112.86 18.62 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.005 0.431 . . . . 0.0 111.234 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.552 ' HB2' HD23 ' A' ' 61' ' ' LEU . 1.9 m -122.64 163.98 19.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.418 178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -140.02 35.13 1.94 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' VAL . 3.2 t0 -166.17 13.9 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.203 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 65.48 -66.09 0.15 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 111.255 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' ASP . 29.0 m -54.13 -39.12 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.55 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 m -63.01 -37.53 87.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.47 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -54.02 -35.93 62.45 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.951 HD11 ' CD1' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -62.4 -47.34 84.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.352 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -53.19 -33.56 53.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.853 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.61 -14.31 26.63 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.548 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.933 ' CZ2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -72.35 -55.76 6.57 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.702 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.658 HD12 ' CH2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -75.06 -43.54 52.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.682 -178.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -50.24 -35.0 24.97 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HG2' HG11 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -67.4 -44.77 78.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.829 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.605 HD21 ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -66.62 -31.86 72.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.899 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -52.37 59.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.36 -43.86 66.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.906 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.3 mt -61.92 -34.24 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.369 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.511 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -50.0 -53.04 29.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.25 -179.338 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -32.28 63.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.749 0.309 . . . . 0.0 110.421 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.2 m -64.06 -18.86 64.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.613 ' O ' HG23 ' A' ' 78' ' ' ILE . 2.0 mt-10 -165.66 71.99 0.16 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.706 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.673 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 1.5 t80 -57.88 92.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.287 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.729 HG21 ' CB ' ' A' ' 103' ' ' GLU . 30.0 pt -112.33 137.18 46.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.267 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.678 ' N ' HD13 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -65.03 -74.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.299 -179.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.449 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 4.1 t80 -121.12 145.08 48.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.008 0.433 . . . . 0.0 110.714 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.61 ' HB3' HD12 ' A' ' 78' ' ' ILE . 73.9 p -154.11 163.11 40.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.072 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.79 144.69 31.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.152 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.794 ' CD1' HD12 ' A' ' 31' ' ' LEU . 55.6 m-85 -119.98 122.96 42.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.427 0.632 . . . . 0.0 112.38 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.553 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -131.79 131.82 43.25 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.023 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.8 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -131.01 149.29 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.711 0.767 . . . . 0.0 112.361 -178.11 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.678 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -130.34 118.97 22.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.444 -178.351 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.549 HD11 ' CD2' ' A' ' 26' ' ' PHE . 15.4 mt -110.82 125.26 68.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.674 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -132.87 122.21 24.04 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.876 0.37 . . . . 0.0 111.438 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.95 114.66 18.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.3 mmtp -74.81 -169.78 0.95 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.944 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -58.25 7.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 90' ' ' LYS . 6.7 p-10 173.62 -36.79 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 109.955 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.09 -162.23 35.48 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.966 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 95' ' ' HIS . 0.2 OUTLIER -135.98 143.15 44.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.601 0.239 . . . . 0.0 110.757 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.482 ' N ' HD12 ' A' ' 94' ' ' LEU . 6.8 t60 -127.35 143.78 51.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 111.641 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 53' ' ' ILE . 10.3 tt -122.5 135.64 54.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.678 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.07 119.55 28.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.186 0.517 . . . . 0.0 109.651 178.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -122.24 148.55 17.06 Favored Glycine 0 C--N 1.313 -0.702 0 CA-C-N 115.784 -0.644 . . . . 0.0 113.821 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 3.4 m -127.85 142.27 51.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.479 0.18 . . . . 0.0 111.229 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.49 ' HB3' ' CD ' ' A' ' 49' ' ' ARG . . . -134.56 131.32 37.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.048 0.451 . . . . 0.0 111.143 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.678 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -132.0 155.24 48.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.323 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.421 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 95.14 37.92 4.99 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.061 -1.066 . . . . 0.0 111.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.729 ' CB ' HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -97.56 119.29 35.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.172 -0.514 . . . . 0.0 111.034 -178.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 172.33 84.06 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.673 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 9.5 tt -72.6 122.36 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -106.77 143.2 35.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.99 123.79 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.646 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.26 31.93 8.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.131 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -59.02 157.19 10.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.95 140.16 1.48 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.396 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -90.51 135.86 33.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.296 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.57 179.12 6.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.172 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -89.54 126.87 35.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.577 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.21 144.2 49.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.506 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 138' ' ' LEU . 3.4 m -69.71 109.51 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.58 -19.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.038 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -150.07 107.21 3.59 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.643 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.976 HG23 HD13 ' A' ' 138' ' ' LEU . 3.0 p -81.21 107.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.982 0.42 . . . . 0.0 110.118 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 121' ' ' HIS . 59.2 m -116.38 122.16 44.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.473 ' HB2' ' HG2' ' A' ' 123' ' ' MET . 0.1 OUTLIER -66.23 69.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.488 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 0.8 OUTLIER -76.92 -43.56 35.03 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.045 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.466 ' O ' ' HG3' ' A' ' 123' ' ' MET . 10.2 mmt -99.25 -67.49 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 32.31 71.95 0.08 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.296 179.265 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 3.5 mt-10 -163.64 134.51 4.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.065 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.951 ' CD1' HD11 ' A' ' 62' ' ' LEU . 59.3 mt -103.82 116.59 47.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 111.124 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -103.8 136.71 42.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.292 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.8 OUTLIER -94.3 122.77 37.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.932 0.396 . . . . 0.0 111.389 -179.211 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -124.17 125.4 44.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.667 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 58.6 21.02 8.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.994 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 90.98 0.7 74.11 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.853 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 11.9 mt -100.85 145.15 28.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.693 0.282 . . . . 0.0 110.268 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.65 HG21 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -102.45 136.11 36.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.874 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 10.1 mtmt -134.65 137.34 43.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.892 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.802 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . . . -108.83 148.01 31.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.55 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.678 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -139.26 124.91 19.47 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -178.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.987 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 16.4 t -129.84 113.6 27.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.414 176.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.712 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 1.1 mt -95.58 113.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.401 0.619 . . . . 0.0 110.189 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.976 HD13 HG23 ' A' ' 118' ' ' VAL . 5.6 mt -109.9 152.98 25.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.836 -178.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.471 ' HA ' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -81.27 142.12 33.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.242 0.544 . . . . 0.0 111.438 -177.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 11' ' ' ALA . 7.0 tp . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.2 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 120.347 -0.141 . . . . 0.0 112.951 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.43 140.08 34.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 111.004 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -144.51 136.14 25.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.482 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 34.7 p90 -114.49 147.5 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.432 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.5 ' CZ ' ' O ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -108.86 140.19 42.65 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 179.312 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.29 103.52 0.15 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.018 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 1.08 HG21 ' O ' ' A' ' 12' ' ' ASP . 1.9 p -107.14 153.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.731 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.683 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 28.1 m -106.99 58.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.241 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . 147.82 -59.13 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 1.08 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.01 124.64 43.01 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.746 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.712 ' O ' HD22 ' A' ' 138' ' ' LEU . . . -105.82 121.79 44.78 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.659 ' HA2' ' HA ' ' A' ' 137' ' ' ILE . . . -112.37 129.58 9.1 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.761 ' HD2' ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -105.69 150.19 25.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.091 0.472 . . . . 0.0 111.154 -177.757 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.498 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -110.81 125.04 53.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.393 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -121.13 144.97 48.28 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.473 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.762 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -113.29 144.25 43.04 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.794 -177.334 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' C ' ' CD2' ' A' ' 20' ' ' HIS . . . -91.25 -167.31 40.98 Favored Glycine 0 CA--C 1.474 -2.531 0 CA-C-O 122.947 1.304 . . . . 0.0 113.297 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -143.96 4.02 1.26 Allowed 'General case' 0 N--CA 1.41 -2.468 0 CA-C-N 111.71 -2.245 . . . . 0.0 109.745 -179.183 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -179.35 29.72 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.923 ' O ' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER 73.23 -57.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.179 -179.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.764 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -58.7 -52.51 65.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.186 0.517 . . . . 0.0 109.714 178.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 53.3 mm-40 -53.3 -24.23 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.778 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.923 HG12 ' O ' ' A' ' 22' ' ' LEU . 2.5 p -73.96 -32.32 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.723 ' CE1' ' HB ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -71.86 -40.95 68.64 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.801 0.334 . . . . 0.0 110.865 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.625 ' HB3' HG12 ' A' ' 85' ' ' VAL . 2.5 pp20? -62.79 -32.17 73.29 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 109.904 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -27.17 68.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.053 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.745 ' HB3' ' NE1' ' A' ' 65' ' ' TRP . . . -52.33 -43.4 64.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.97 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB1' ' CZ ' ' A' ' 83' ' ' PHE . . . -72.6 -32.98 66.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.977 0.418 . . . . 0.0 110.061 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HG ' ' CE1' ' A' ' 80' ' ' PHE . 5.5 tt -59.25 -23.83 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.765 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.761 ' HB1' ' HD2' ' A' ' 15' ' ' PHE . . . -68.76 -49.19 60.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.441 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.598 ' HE1' HG22 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -51.68 -28.53 15.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.164 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CD2' ' CD2' ' A' ' 80' ' ' PHE . 3.0 t80 -51.71 -38.43 55.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.501 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -53.29 -30.37 38.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.762 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.84 HG13 ' CB ' ' A' ' 113' ' ' ASP . 23.9 t -93.87 -53.96 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.394 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 38' ' ' THR . 22.0 mmt -50.08 -55.98 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.826 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 37' ' ' MET . 0.7 OUTLIER 49.87 177.06 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.974 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 t70 64.82 8.72 4.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.615 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.882 HG22 ' CB ' ' A' ' 79' ' ' LEU . 1.1 p -72.9 -21.5 60.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.507 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -47.06 -22.19 0.32 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.666 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -29.76 48.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.692 HG11 HD11 ' A' ' 105' ' ' ILE . 3.6 m -97.34 122.96 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.87 -73.27 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB1' ' SD ' ' A' ' 101' ' ' MET . . . -145.88 84.8 1.67 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.01 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -98.12 -38.55 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.672 ' O ' ' HA ' ' A' ' 101' ' ' MET . 9.5 mm-40 -136.9 170.13 16.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.738 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -142.09 125.93 17.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.447 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.65 132.95 48.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 111.034 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 142.87 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.57 147.22 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 111.48 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -125.84 144.05 50.81 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.596 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -139.55 150.95 22.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.647 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 t -121.75 114.48 21.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.674 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -120.65 164.57 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.601 179.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -143.43 31.48 1.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.734 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' VAL . 23.3 t70 -176.02 18.41 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 66.36 -60.2 0.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.374 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.748 HG23 ' CB ' ' A' ' 124' ' ' GLU . 5.8 p -53.7 -44.84 59.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.833 0.349 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.457 ' N ' HG13 ' A' ' 59' ' ' VAL . 56.4 m -61.73 -30.98 71.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.363 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -53.96 -40.47 66.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.509 ' CD2' ' HB1' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -72.09 -47.39 51.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.555 179.461 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.14 -39.5 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.14 -15.81 54.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.291 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.745 ' NE1' ' HB3' ' A' ' 29' ' ' ALA . 1.7 t-105 -72.77 -53.59 11.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 111.08 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.935 ' CD1' HG11 ' A' ' 136' ' ' VAL . 1.4 mt -71.68 -34.62 69.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -34.07 69.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -52.43 29.54 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.643 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -31.09 67.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.632 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.82 -52.25 57.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -70.48 -44.85 66.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.045 0.45 . . . . 0.0 110.632 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.1 mt -61.01 -33.67 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.118 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -49.54 -49.72 45.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.549 -179.11 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 77' ' ' PHE . 10.4 t0 -73.04 -35.12 66.67 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 m -64.17 -18.29 64.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 78' ' ' ILE . 4.6 pt-20 -164.9 77.13 0.3 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.484 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.759 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 55.6 m-85 -55.89 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.911 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 76' ' ' GLU . 27.7 pt -111.83 147.91 15.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.105 0.478 . . . . 0.0 111.182 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.882 ' CB ' HG22 ' A' ' 40' ' ' THR . 7.6 mt -79.4 -81.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.566 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.805 ' HB3' HG21 ' A' ' 40' ' ' THR . 16.1 t80 -136.78 142.9 42.97 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.107 0.48 . . . . 0.0 110.471 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.517 ' HB2' ' O ' ' A' ' 101' ' ' MET . 30.1 p -154.23 163.33 40.3 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.104 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -79.65 122.24 26.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.544 ' CB ' ' HB2' ' A' ' 27' ' ' GLU . 88.7 m-85 -104.58 121.67 44.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.586 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.588 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.3 OUTLIER -102.16 136.14 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.532 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.764 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -132.96 149.73 32.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.659 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -129.98 139.11 51.11 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 113.459 -1.7 . . . . 0.0 110.077 -179.256 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.687 HG13 ' HB3' ' A' ' 23' ' ' GLU . 56.3 mt -128.34 124.53 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.328 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -132.95 127.24 33.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.33 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -77.08 115.25 16.71 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.2 mmtt -74.75 -169.19 0.83 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.431 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.42 2.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 169.4 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.339 0.12 0 CA-C-O 120.804 0.335 . . . . 0.0 110.808 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.98 -145.87 18.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.349 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -135.92 136.58 40.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.463 -0.368 . . . . 0.0 111.099 -178.564 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -127.86 140.5 51.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.527 179.025 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.686 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 8.6 tt -127.94 141.65 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.728 0.299 . . . . 0.0 111.447 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.659 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.79 119.21 27.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.09 0.472 . . . . 0.0 109.893 178.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.588 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.96 148.36 17.0 Favored Glycine 0 C--N 1.315 -0.602 0 C-N-CA 120.817 -0.706 . . . . 0.0 114.058 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.401 ' CB ' ' HE3' ' A' ' 84' ' ' LYS . 9.6 m -126.08 141.27 52.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.577 0.227 . . . . 0.0 110.497 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -133.82 132.71 40.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.79 0.328 . . . . 0.0 111.335 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.672 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.62 148.05 52.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.473 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 107.99 48.43 0.89 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.58 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.508 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.1 tt0 -104.69 115.98 31.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.812 0.339 . . . . 0.0 111.408 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 176.33 34.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.097 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.759 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 21.5 mm -95.74 138.32 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.938 0.399 . . . . 0.0 111.751 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 169.75 12.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.376 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -62.86 131.4 48.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.146 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.51 47.74 43.9 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.784 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -83.5 104.48 13.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 111.323 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.95 98.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.579 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -108.88 124.07 50.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.732 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -112.53 -32.66 6.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.169 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.84 ' CB ' HG13 ' A' ' 36' ' ' VAL . 3.9 m-20 -119.21 159.21 24.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.659 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -116.72 104.98 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.404 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.592 ' O ' HG13 ' A' ' 115' ' ' VAL . 12.1 p -111.33 109.71 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.251 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.6 mttp -59.05 -26.49 64.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.502 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.86 -176.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.004 0.431 . . . . 0.0 111.541 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.855 HG13 HD12 ' A' ' 138' ' ' LEU . 19.7 t -113.48 108.96 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.873 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 19.2 m -112.38 104.58 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.453 ' CB ' ' HG3' ' A' ' 123' ' ' MET . 21.9 p90 -37.29 101.9 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.888 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.697 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 0.8 OUTLIER -55.51 -34.33 64.55 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 122.498 1.142 . . . . 0.0 108.197 178.447 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.423 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 176.92 -32.04 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 112.805 -1.998 . . . . 0.0 107.941 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.456 ' SD ' HG22 ' A' ' 136' ' ' VAL . 1.1 mmm 52.13 59.1 4.77 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.753 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.748 ' CB ' HG23 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -133.93 134.79 43.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.214 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.803 HG21 HG11 ' A' ' 25' ' ' VAL . 4.3 mt -96.25 112.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.082 0.467 . . . . 0.0 110.703 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.631 HD11 ' HE3' ' A' ' 133' ' ' LYS . 2.9 pp -103.51 136.53 43.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.137 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.602 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 10.8 p-10 -100.89 121.99 42.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.112 0.482 . . . . 0.0 111.774 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -124.97 128.65 48.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.331 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 t0 59.21 20.44 8.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 89.36 0.67 79.53 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.6 OUTLIER -96.92 146.18 25.19 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.555 0.342 . . . . 0.0 110.1 179.53 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.901 HG21 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.3 136.36 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.289 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.648 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 3.2 mtpp -134.49 136.76 43.38 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.783 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.509 ' HB1' ' CD2' ' A' ' 62' ' ' LEU . . . -126.34 142.88 51.36 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.566 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.466 ' HD3' ' CD2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -126.15 124.58 40.84 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -178.577 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.935 HG11 ' CD1' ' A' ' 66' ' ' LEU . 45.8 t -129.79 117.03 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.407 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.899 ' O ' HD13 ' A' ' 138' ' ' LEU . 1.0 OUTLIER -86.33 141.43 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.025 0.93 . . . . 0.0 111.851 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.899 HD13 ' O ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -126.9 151.63 48.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.52 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 115' ' ' VAL . 20.5 t0 -82.09 138.62 34.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.335 0.588 . . . . 0.0 112.121 -177.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.522 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 120.329 -0.15 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.564 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.02 139.88 34.0 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.832 0.316 . . . . 0.0 110.921 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.18 153.72 40.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.118 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 34.3 p90 -114.64 147.32 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.349 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -109.05 169.25 8.8 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.453 179.31 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -66.06 92.73 0.18 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.136 0.493 . . . . 0.0 112.271 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.925 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 3.5 p -107.22 152.3 8.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.322 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.62 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 76.7 m -137.45 98.89 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.544 178.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.653 ' O ' ' N ' ' A' ' 140' ' ' LEU . . . 115.29 -42.15 0.01 OUTLIER 'General case' 0 C--N 1.347 0.499 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.925 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.68 171.51 10.02 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.718 ' HA ' HG11 ' A' ' 9' ' ' VAL . . . -146.62 120.84 9.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.104 0.478 . . . . 0.0 111.232 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.882 ' HA3' HG12 ' A' ' 137' ' ' ILE . . . -122.7 129.86 7.66 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.685 ' CZ ' HG22 ' A' ' 36' ' ' VAL . 1.5 m-85 -107.93 152.22 24.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.033 0.444 . . . . 0.0 110.834 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.564 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -111.36 124.89 53.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.399 179.216 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.632 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -127.52 157.4 40.23 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.833 ' HB3' HD11 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -113.36 159.43 19.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.179 -178.192 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.687 ' CA ' HG13 ' A' ' 25' ' ' VAL . . . -109.07 -171.82 20.9 Favored Glycine 0 CA--C 1.489 -1.578 0 CA-C-O 122.426 1.014 . . . . 0.0 113.853 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -139.73 1.58 1.91 Allowed 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 112.671 -1.764 . . . . 0.0 109.736 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 0.9 OUTLIER 155.68 44.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.104 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.944 HD13 HG21 ' A' ' 132' ' ' ILE . 2.2 mm? 70.9 -57.81 0.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.461 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.547 ' HG2' HG22 ' A' ' 85' ' ' VAL . 13.0 tt0 -52.0 -31.71 30.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.436 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 1.6 tp10 -73.56 -47.6 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.687 HG13 ' CA ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -59.42 -50.71 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.737 ' HB2' HG21 ' A' ' 85' ' ' VAL . 22.3 m-85 -49.8 -38.38 34.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.223 0.535 . . . . 0.0 110.12 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.657 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -65.81 -41.68 91.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.867 179.173 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -27.6 64.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.854 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.06 -49.39 66.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.27 64.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -44.01 90.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -60.04 -42.86 95.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -71.71 -48.64 45.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.64 -33.43 75.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.92 -30.58 64.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.936 0.398 . . . . 0.0 110.606 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.741 HG12 ' HB3' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -85.09 -33.62 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.767 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mmm -79.94 -29.35 39.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.702 HG21 ' CD1' ' A' ' 79' ' ' LEU . 12.0 t -177.81 -164.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HB3' HD11 ' A' ' 42' ' ' LEU . 2.4 t70 -122.6 104.0 9.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.896 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.434 ' HA ' ' HB2' ' A' ' 80' ' ' PHE . 36.9 p -71.8 -21.35 61.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.391 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.9 t -40.45 -29.05 0.08 Allowed 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -113.43 61.18 0.65 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.964 0.411 . . . . 0.0 111.151 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.3 p -91.17 134.67 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -21.19 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.512 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.04 113.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.825 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -123.46 -47.94 1.96 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.257 0.551 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.738 ' O ' ' HA ' ' A' ' 101' ' ' MET . 1.0 OUTLIER -121.59 170.92 9.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.441 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -142.38 122.47 13.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.534 ' NH2' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -121.16 154.59 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.232 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -123.76 142.94 50.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 111.737 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.493 HG11 ' HG2' ' A' ' 68' ' ' GLU . 34.9 t -128.37 149.0 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.173 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.606 ' HG2' HG23 ' A' ' 97' ' ' THR . 0.7 OUTLIER -125.78 141.79 51.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.471 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.58 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.81 147.74 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.778 -179.28 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 82.8 p -121.84 114.4 20.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.243 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.752 ' HB3' HD22 ' A' ' 61' ' ' LEU . 3.1 t -121.01 163.33 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.871 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HG2' ' HA3' ' A' ' 93' ' ' GLY . 24.7 mt-10 -156.25 25.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.638 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -158.6 19.51 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.512 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 65.87 -66.89 0.15 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.499 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.1 m -54.17 -35.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.495 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 t -59.4 -41.6 89.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.123 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 55' ' ' SER . 0.0 OUTLIER -54.11 -47.57 71.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.783 0.325 . . . . 0.0 110.22 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.68 HD23 HD11 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -69.93 -47.58 61.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.307 179.241 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -56.85 -35.03 68.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.88 -17.2 23.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.561 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.555 ' CE3' HD11 ' A' ' 53' ' ' ILE . 5.8 t-105 -72.83 -52.93 12.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.637 0.256 . . . . 0.0 111.191 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.862 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.5 OUTLIER -69.19 -43.47 74.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.745 -179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.21 -33.52 41.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.216 0.532 . . . . 0.0 109.596 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HG2' HG11 ' A' ' 51' ' ' VAL . 1.1 tp10 -66.57 -35.58 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.483 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.823 HD23 HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -71.02 -31.83 68.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.494 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -48.54 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.505 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' O ' HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -70.52 -52.19 23.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.449 -179.346 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.823 HD11 HD23 ' A' ' 69' ' ' LEU . 2.4 pp -55.31 -33.94 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.572 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.682 ' N ' HD12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -49.74 -52.66 29.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.353 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -73.37 -36.6 66.12 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.53 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 71' ' ' PHE . 2.7 p -64.2 -18.22 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.643 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -161.66 76.79 0.52 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.874 178.467 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.432 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -58.8 96.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.139 179.339 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.79 HG21 ' HB2' ' A' ' 103' ' ' GLU . 1.1 pt -112.77 144.37 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.335 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.702 ' CD1' HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER -77.61 -71.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.539 -179.238 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 18.1 p90 -123.86 142.04 51.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.481 ' OG ' HD13 ' A' ' 78' ' ' ILE . 3.3 m -153.8 159.4 41.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.33 150.08 27.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.331 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -118.35 122.4 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.523 0.678 . . . . 0.0 111.994 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.473 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.19 115.51 15.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.384 178.289 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.737 HG21 ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -110.6 149.63 13.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.535 0.683 . . . . 0.0 112.108 -178.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.761 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 1.7 tttm -130.65 118.91 21.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.249 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.446 HD11 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -123.52 140.73 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 121.821 -0.55 . . . . 0.0 110.37 179.213 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -133.06 122.5 24.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.609 -178.657 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -83.0 113.77 20.8 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 93' ' ' GLY . 3.8 mmtp -92.73 -169.34 2.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.878 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.84 6.36 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.629 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER 172.15 -37.6 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.1 0.476 . . . . 0.0 110.175 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 90' ' ' LYS . . . -108.71 168.44 13.52 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.476 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.683 HD23 ' N ' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -136.28 136.4 39.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.44 0.62 . . . . 0.0 111.995 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.447 ' CE1' ' CB ' ' A' ' 88' ' ' ASP . 19.8 p-80 -105.49 143.5 33.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.625 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.761 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 8.2 tt -114.89 141.0 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 111.6 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.719 ' N ' HD23 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -125.05 119.18 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.688 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -117.12 148.3 18.84 Favored Glycine 0 C--N 1.315 -0.599 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.494 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 4.7 m -127.25 142.29 51.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.418 ' HB3' ' CG ' ' A' ' 49' ' ' ARG . . . -132.54 132.38 42.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.944 0.402 . . . . 0.0 111.271 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.738 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 5.3 mtt -131.08 155.63 46.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.597 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.79 51.05 4.17 Favored Glycine 0 CA--C 1.507 -0.408 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.79 ' HB2' HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -92.67 116.09 28.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.121 -0.539 . . . . 0.0 111.627 -178.183 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.79 113.88 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.651 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.502 HD13 HD23 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -88.27 138.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.916 0.389 . . . . 0.0 111.035 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 109' ' ' HIS . 0.0 OUTLIER -121.65 -172.75 2.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.646 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -93.6 113.45 25.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.444 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 47.86 42.1 21.54 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.236 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 106' ' ' LYS . 1.2 t-80 -83.58 110.22 18.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.771 0.32 . . . . 0.0 111.06 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 57.06 83.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.81 102.75 11.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -92.66 -58.11 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.472 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.741 ' HB3' HG12 ' A' ' 36' ' ' VAL . 42.0 t0 -124.91 159.16 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.326 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -110.14 103.36 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.02 0.438 . . . . 0.0 111.798 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.5 t -111.84 109.56 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.982 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 21.72 11.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.604 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -177.59 121.72 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.847 HG23 ' CD1' ' A' ' 138' ' ' LEU . 2.3 p -101.37 108.5 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.684 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.42 ' N ' HD22 ' A' ' 138' ' ' LEU . 5.6 t -114.13 127.6 55.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.298 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.414 ' HB2' ' HG3' ' A' ' 123' ' ' MET . 0.1 OUTLIER -69.58 67.04 0.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.547 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -60.62 -43.77 97.08 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.187 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.63 -65.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 110.752 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.597 ' HA ' HG22 ' A' ' 136' ' ' VAL . 0.3 OUTLIER 45.33 39.55 4.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.093 0.473 . . . . 0.0 110.705 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -115.36 143.02 45.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.68 HD11 HD23 ' A' ' 62' ' ' LEU . 62.5 mt -111.34 113.07 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.435 . . . . 0.0 111.599 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.87 136.52 45.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.78 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.6 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 10.4 t70 -108.06 122.13 46.24 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.622 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -124.84 131.24 53.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.724 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 57.58 21.27 6.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 111.217 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 89.63 0.5 78.89 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.833 HD11 ' HB3' ' A' ' 18' ' ' TYR . 3.3 tm? -91.88 139.15 30.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.944 HG21 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -101.16 122.97 53.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.554 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 26.5 mttt -116.76 136.92 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.703 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -118.32 141.48 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.494 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 123' ' ' MET . 0.0 OUTLIER -138.48 119.16 14.03 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.862 HG11 ' CD1' ' A' ' 66' ' ' LEU . 72.8 t -130.74 114.71 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.437 176.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.882 HG12 ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -99.23 120.99 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.785 0.802 . . . . 0.0 109.95 177.481 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.847 ' CD1' HG23 ' A' ' 118' ' ' VAL . 6.2 mt -106.82 153.21 22.81 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.418 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.7 142.15 34.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.503 0.668 . . . . 0.0 111.688 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.653 ' N ' ' O ' ' A' ' 11' ' ' ALA . 4.8 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.059 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.239 0 CA-C-O 120.236 -0.202 . . . . 0.0 112.955 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.17 139.96 34.03 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.961 0.41 . . . . 0.0 111.146 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -147.04 128.57 15.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 38.4 p90 -94.77 147.71 23.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.901 0.381 . . . . 0.0 111.849 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CE1' ' CA ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -108.6 169.2 8.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.672 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -100.06 99.32 10.03 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.3 t -106.71 151.34 8.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.487 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.641 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.1 m -96.1 103.8 15.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.328 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.641 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 112.71 -45.15 0.0 OUTLIER 'General case' 0 C--N 1.346 0.428 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.806 ' HB2' HG22 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.65 169.62 11.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.447 179.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.607 ' C ' HG23 ' A' ' 137' ' ' ILE . . . -147.62 121.27 9.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.794 ' N ' HG23 ' A' ' 137' ' ' ILE . . . -115.52 143.05 17.96 Favored Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.78 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.746 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -109.58 141.96 41.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.88 0.371 . . . . 0.0 110.116 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -111.77 125.15 53.68 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.163 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -124.69 162.73 23.56 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.415 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -115.08 159.6 20.64 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.388 -178.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.77 ' N ' HG13 ' A' ' 25' ' ' VAL . . . -107.43 -151.8 17.48 Favored Glycine 0 CA--C 1.491 -1.422 0 CA-C-N 114.77 -1.104 . . . . 0.0 113.263 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.527 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 178.65 -24.96 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 113.268 -1.466 . . . . 0.0 109.886 -178.599 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' OD2' ' CD2' ' A' ' 20' ' ' HIS . 0.7 OUTLIER -165.27 29.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.472 179.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' A' ' 132' ' ' ILE . 1.7 mt 80.27 -51.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.199 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.744 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -67.0 -31.92 72.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HG3' ' HB3' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -61.36 -42.56 98.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.829 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.77 HG13 ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -73.74 -46.49 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.161 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.603 ' CE1' HD13 ' A' ' 125' ' ' ILE . 30.9 m-85 -52.36 -54.54 30.44 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.666 ' CG ' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -63.43 -33.14 74.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.911 0.386 . . . . 0.0 110.727 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.537 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 3.9 m-20 -63.14 -33.13 74.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.44 73.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 69' ' ' LEU . . . -65.78 -40.2 91.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -34.39 64.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.967 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.746 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -59.4 -50.52 73.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.668 ' HB2' HD21 ' A' ' 66' ' ' LEU . 10.5 tpt -71.84 -30.58 65.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 2.1 m-85 -64.23 -52.15 60.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.65 -30.87 45.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.634 HG21 ' HZ ' ' A' ' 15' ' ' PHE . 20.2 t -81.57 -35.45 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.929 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.481 ' C ' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -54.63 -35.73 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.955 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.608 HG21 HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER 176.7 -89.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.622 ' O ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER 175.39 107.91 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.736 0.303 . . . . 0.0 110.893 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.622 ' HB ' ' HA ' ' A' ' 80' ' ' PHE . 2.9 p -72.12 -21.44 61.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.336 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.779 ' C ' HD13 ' A' ' 42' ' ' LEU . 7.1 p -64.81 63.29 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.01 HD23 HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER 177.89 -17.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.553 179.198 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.01 HG23 HD23 ' A' ' 42' ' ' LEU . 51.2 t -110.09 134.78 51.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.752 0.311 . . . . 0.0 110.305 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 1.1 mt-10 -81.68 -82.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.409 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.763 ' HB1' ' SD ' ' A' ' 101' ' ' MET . . . 175.75 105.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.456 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -104.63 -32.17 9.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.967 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.761 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.3 mm-40 -135.73 151.98 50.69 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.11 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 101' ' ' MET . 18.7 tt0 -132.41 142.07 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 111.212 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -139.15 156.3 47.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.708 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.1 142.92 45.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.049 0.452 . . . . 0.0 111.142 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.404 HG21 HD13 ' A' ' 72' ' ' ILE . 9.6 t -127.45 145.41 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.65 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -125.94 144.6 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.078 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.796 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -138.55 151.83 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.796 -179.01 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.3 m -121.83 114.87 21.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.692 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.573 ' HB3' HD23 ' A' ' 61' ' ' LEU . 16.0 t -120.53 163.74 17.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.631 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.567 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.5 mt-10 -155.01 29.74 0.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.373 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' VAL . 8.3 t70 -174.94 24.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.774 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 63.83 -67.86 0.1 Allowed 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.866 0.365 . . . . 0.0 111.818 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' ASP . 9.0 p -54.1 -35.72 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.627 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -42.85 99.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.24 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.846 HD11 HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -54.22 -53.38 54.28 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.688 0.28 . . . . 0.0 110.359 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.73 HD23 HG23 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -58.83 -38.46 78.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.069 0.461 . . . . 0.0 110.344 179.252 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.421 ' CE1' ' CG ' ' A' ' 120' ' ' PHE . 4.8 t80 -63.48 -35.07 79.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.004 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.91 -11.8 24.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.665 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.523 ' HA ' ' CE3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -72.83 -52.85 13.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.957 0.408 . . . . 0.0 111.0 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.849 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.5 OUTLIER -66.15 -47.85 72.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -51.95 -33.3 37.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.511 ' C ' HD12 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -63.97 -40.49 96.53 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.246 178.536 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -61.46 -32.04 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.101 179.137 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.002 HD11 HG11 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -59.46 -52.54 65.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.883 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.39 -45.87 61.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.511 HD12 ' C ' ' A' ' 68' ' ' GLU . 13.6 mt -59.01 -34.94 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 77' ' ' PHE . 7.5 m170 -56.72 -53.29 59.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.942 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -73.79 -32.9 63.99 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.761 0.315 . . . . 0.0 110.292 179.24 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.1 m -64.07 -18.34 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -165.06 72.01 0.18 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.977 178.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' A' ' 74' ' ' ASP . 73.0 m-85 -45.31 91.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.745 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.915 HG22 ' HA ' ' A' ' 103' ' ' GLU . 33.9 pt -112.22 134.81 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.322 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.617 ' O ' HG22 ' A' ' 40' ' ' THR . 17.2 mt -83.01 -41.35 18.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.044 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.622 ' HA ' ' HB ' ' A' ' 40' ' ' THR . 3.6 t80 -119.87 145.84 46.31 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.689 ' OG ' ' HB1' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -154.3 130.76 10.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.237 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -82.19 150.0 27.62 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.549 ' HB2' ' HB3' ' A' ' 27' ' ' GLU . 1.4 p90 -106.3 119.73 40.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 122.025 0.917 . . . . 0.0 113.162 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.63 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -134.96 115.15 13.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.728 -1.578 . . . . 0.0 107.112 176.571 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.744 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -124.46 149.23 28.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.909 0.861 . . . . 0.0 112.733 -178.468 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.777 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -130.06 118.77 22.04 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.849 -178.614 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.568 HD12 ' CE2' ' A' ' 26' ' ' PHE . 3.2 tt -128.42 142.69 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 121.939 -0.476 . . . . 0.0 110.999 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 31.9 t70 -124.34 120.62 32.67 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.59 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -105.6 112.07 25.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.725 0.774 . . . . 0.0 110.912 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.67 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -133.21 -167.06 1.86 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.299 -1.318 . . . . 0.0 108.43 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' LYS . 4.2 t70 -19.22 -37.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 164.58 -33.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.051 0.453 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.508 ' O ' ' CE ' ' A' ' 90' ' ' LYS . . . -75.43 78.54 1.13 Allowed Glycine 0 C--O 1.226 -0.352 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.916 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -93.13 140.4 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.986 0.422 . . . . 0.0 111.33 -179.062 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.417 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 6.5 p80 -125.94 143.59 51.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.373 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.846 HD13 HD11 ' A' ' 61' ' ' LEU . 8.0 tt -110.73 141.36 44.12 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.702 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.596 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.91 119.48 28.9 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.63 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -124.94 148.82 16.85 Favored Glycine 0 C--N 1.313 -0.717 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.935 -178.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.6 m -118.86 142.72 47.48 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.751 0.31 . . . . 0.0 111.81 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.689 ' HB1' ' OG ' ' A' ' 81' ' ' SER . . . -137.02 132.51 34.35 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.794 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.763 ' SD ' ' HB1' ' A' ' 45' ' ' ALA . 4.0 ttt -130.97 153.65 48.98 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.998 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.456 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 106.94 58.21 0.6 Allowed Glycine 0 C--N 1.338 0.674 0 C-N-CA 119.844 -1.17 . . . . 0.0 112.581 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.915 ' HA ' HG22 ' A' ' 78' ' ' ILE . 1.3 tt0 -103.21 116.04 31.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.039 0.447 . . . . 0.0 110.983 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 177.88 69.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.418 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.74 HD13 ' N ' ' A' ' 106' ' ' LYS . 0.1 OUTLIER -72.86 127.86 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.287 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.74 ' N ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -106.2 140.52 39.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.5 104.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.274 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.11 30.24 55.48 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.664 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -79.17 115.98 19.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 61.18 113.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -108.65 129.17 55.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -158.02 -176.22 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -89.63 127.54 35.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.468 ' HA ' HG12 ' A' ' 36' ' ' VAL . 21.6 tt0 -121.61 144.0 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 115' ' ' VAL . 29.5 m -70.04 109.41 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.398 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -55.61 -20.9 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.791 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -141.16 125.33 17.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.934 0.397 . . . . 0.0 111.909 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 1.002 HG11 HD11 ' A' ' 70' ' ' LEU . 7.3 p -98.79 107.91 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.258 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 137' ' ' ILE . 94.0 m -116.13 129.84 56.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 35.6 p90 -69.53 69.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.544 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -59.32 -43.79 92.66 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.689 -178.5 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -64.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.633 0.254 . . . . 0.0 110.477 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.681 ' HE1' ' HB3' ' A' ' 66' ' ' LEU . 1.4 mtt 44.81 48.98 9.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.066 0.46 . . . . 0.0 110.671 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -128.59 146.26 50.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.588 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.73 HG23 HD23 ' A' ' 62' ' ' LEU . 2.6 pt -111.18 112.94 42.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.022 0.439 . . . . 0.0 111.488 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.641 ' H ' HD13 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -110.76 151.37 27.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.817 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 2.0 p30 -110.78 121.68 45.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.275 0.56 . . . . 0.0 112.318 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 131' ' ' LEU . 18.0 tt0 -125.24 138.3 54.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.81 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 59.61 19.62 8.2 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.119 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 85.26 0.61 88.54 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -105.62 145.67 30.7 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.27 143.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.677 0.275 . . . . 0.0 110.468 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -133.25 137.07 45.93 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.027 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.596 ' HB1' HD21 ' A' ' 62' ' ' LEU . . . -110.79 138.9 46.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.668 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -134.95 120.13 18.85 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.849 HG11 ' CD1' ' A' ' 66' ' ' LEU . 25.1 t -130.07 114.77 30.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.857 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.861 ' C ' HD23 ' A' ' 138' ' ' LEU . 1.0 OUTLIER -97.96 135.55 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-O 121.443 0.64 . . . . 0.0 110.071 177.671 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.992 HD13 HG23 ' A' ' 118' ' ' VAL . 5.3 mt -123.29 152.8 41.03 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.497 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.21 142.37 33.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.387 0.613 . . . . 0.0 112.075 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.547 HD23 ' CA ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.37 -1.287 . . . . 0.0 112.5 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.721 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--O 1.226 -0.363 0 CA-C-O 119.955 -0.358 . . . . 0.0 112.906 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.665 ' CD2' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -142.27 139.66 31.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 117.166 0.483 . . . . 0.0 110.766 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -148.08 153.56 39.06 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.851 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -110.01 147.32 33.74 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.632 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -120.44 144.74 47.79 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -178.094 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 31.84 27.17 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.98 HG21 ' O ' ' A' ' 12' ' ' ASP . 8.0 p -106.38 150.56 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 C-N-CA 119.896 -0.721 . . . . 0.0 112.676 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 9' ' ' VAL . 6.5 m -58.44 -36.9 74.38 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.259 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' ' 9' ' ' VAL . . . -159.72 -43.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.499 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.98 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -125.94 119.98 29.18 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -179.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.958 ' HB2' ' HB ' ' A' ' 9' ' ' VAL . . . -150.51 165.97 31.62 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.506 -1.224 . . . . 0.0 110.487 176.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.953 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -43.51 131.56 6.05 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 119.629 -1.272 . . . . 0.0 110.027 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.549 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 1.3 m-85 -105.29 152.08 23.34 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.691 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.631 ' HE1' HD21 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -109.36 124.16 50.51 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.721 ' HA ' ' O ' ' A' ' 3' ' ' GLY . . . -121.0 163.69 17.9 Favored 'General case' 0 CA--C 1.491 -1.326 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.378 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.443 ' CD2' ' CG ' ' A' ' 133' ' ' LYS . 7.5 m-85 -134.31 154.39 51.34 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.341 -177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.477 ' HA3' HG12 ' A' ' 132' ' ' ILE . . . -114.64 -141.72 7.68 Favored Glycine 0 CA--C 1.487 -1.695 0 CA-C-O 122.449 1.027 . . . . 0.0 113.632 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.483 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 175.12 -29.23 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 112.716 -1.742 . . . . 0.0 108.882 -177.621 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 7.8 t70 -150.37 33.04 0.64 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.452 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.736 ' H ' HD11 ' A' ' 132' ' ' ILE . 1.0 OUTLIER 74.49 -58.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.957 -179.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 3.3 mt-10 -58.12 -31.17 66.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.04 0.447 . . . . 0.0 109.978 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' A' ' 20' ' ' HIS . 3.4 tp10 -64.79 -47.36 78.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.395 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 22' ' ' LEU . 9.3 p -66.57 -38.88 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.68 ' CZ ' HD22 ' A' ' 62' ' ' LEU . 21.8 m-85 -65.82 -43.72 87.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.825 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.567 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -55.21 -38.71 68.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.356 179.401 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.57 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 30.3 m-20 -70.2 -26.96 64.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.21 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.979 ' HB1' ' CE2' ' A' ' 65' ' ' TRP . . . -64.39 -35.14 79.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.568 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.702 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -73.3 -22.56 60.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.896 0.379 . . . . 0.0 110.765 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.749 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -73.88 -32.51 63.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.613 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -54.03 -52.28 61.33 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.11 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.686 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 2.3 m-85 -71.92 -39.48 69.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.518 ' HB2' HD13 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -53.38 -33.01 52.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.002 0.43 . . . . 0.0 110.475 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 114' ' ' GLU . 21.9 t -73.0 -30.57 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.332 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.59 ' O ' HG22 ' A' ' 38' ' ' THR . 5.3 mmm -75.27 -33.34 61.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.534 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.781 HG21 ' CD ' ' A' ' 112' ' ' ARG . 5.4 t 48.53 -174.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.625 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 38' ' ' THR . 35.8 t0 81.79 -15.09 0.74 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.943 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -72.08 -21.72 61.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.144 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 t -69.06 -2.97 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.797 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -124.32 15.48 9.0 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.688 0.28 . . . . 0.0 111.38 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.564 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 59.5 t -119.02 135.04 60.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.062 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 4.1 mt-10 -78.87 -80.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.603 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.743 ' HB1' ' SD ' ' A' ' 101' ' ' MET . . . 175.13 104.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.544 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.514 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -87.47 -56.33 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.79 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.817 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.3 mm-40 -131.17 142.12 50.17 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 101' ' ' MET . 25.6 tt0 -120.36 122.47 40.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.951 0.405 . . . . 0.0 111.192 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -122.38 144.53 48.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.492 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -102.54 142.03 34.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.04 0.448 . . . . 0.0 110.95 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.546 HG11 ' HG2' ' A' ' 68' ' ' GLU . 21.5 t -119.47 146.87 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.576 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.524 ' HG3' HG23 ' A' ' 97' ' ' THR . 0.1 OUTLIER -126.44 143.94 51.01 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 1.009 HD12 HD13 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -139.91 146.12 25.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.014 -178.736 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.41 114.08 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.258 0.551 . . . . 0.0 110.632 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.488 ' HB3' HD12 ' A' ' 61' ' ' LEU . 41.5 t -121.02 164.29 16.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.784 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -152.4 54.0 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 111.046 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.9 t0 -178.86 10.79 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 63.92 -69.88 0.08 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.705 0.288 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 57' ' ' ASP . 29.5 m -54.43 -43.25 62.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.765 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 59' ' ' VAL . 33.1 t -63.81 -34.54 78.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.252 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.938 HD12 ' HB3' ' A' ' 94' ' ' LEU . 1.9 tt -53.93 -34.66 60.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.756 ' O ' ' HE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -64.67 -49.38 71.22 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.492 178.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -54.22 -34.69 61.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.27 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.456 ' HB3' HG21 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -79.09 -9.56 59.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.158 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.979 ' CE2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -73.04 -54.42 8.6 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.449 -179.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.853 HD12 ' CH2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -73.85 -43.81 57.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.769 -178.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -33.05 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.143 0.497 . . . . 0.0 109.728 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.546 ' HG2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -69.13 -40.2 78.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.65 178.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.702 HD21 ' HB1' ' A' ' 30' ' ' ALA . 8.1 mp -72.03 -32.14 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.482 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -52.61 53.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.477 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -50.4 32.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.563 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 68' ' ' GLU . 2.7 tt -53.74 -34.33 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.897 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -53.02 30.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.076 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -73.63 -33.63 64.62 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 120.775 0.322 . . . . 0.0 110.139 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -18.84 64.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 78' ' ' ILE . 3.4 pt-20 -163.67 73.11 0.29 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.162 178.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -46.36 93.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.439 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.938 HG22 ' HA ' ' A' ' 103' ' ' GLU . 21.2 pt -112.33 124.51 69.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.621 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.893 ' O ' HG22 ' A' ' 40' ' ' THR . 0.4 OUTLIER -73.46 -41.18 63.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.014 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.734 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 1.3 t80 -119.46 141.8 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.759 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.732 ' OG ' ' HB1' ' A' ' 100' ' ' ALA . 1.7 t -154.32 130.4 10.3 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.534 -0.467 . . . . 0.0 112.195 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -86.22 136.96 32.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.469 ' CD1' ' CB ' ' A' ' 30' ' ' ALA . 5.8 m-85 -105.47 120.75 42.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.98 0.895 . . . . 0.0 113.153 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.53 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -134.23 114.69 13.31 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 176.607 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.567 HG11 ' N ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -112.97 148.81 15.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.59 0.71 . . . . 0.0 112.498 -178.026 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.62 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.7 tttm -130.35 132.81 46.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.93 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.0 mt -128.5 129.47 68.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.535 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.88 122.01 23.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.949 0.404 . . . . 0.0 111.787 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.502 ' HG2' HD13 ' A' ' 94' ' ' LEU . 6.9 mt-10 -105.48 114.21 28.25 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.173 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -131.13 -169.46 2.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.88 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.42 11.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.592 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -109.51 -18.25 13.56 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.836 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.796 ' O ' HD22 ' A' ' 94' ' ' LEU . . . 125.49 -106.16 0.87 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.552 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.938 ' HB3' HD12 ' A' ' 61' ' ' LEU . 3.0 mm? -135.73 133.15 37.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.841 0.353 . . . . 0.0 111.639 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.55 142.43 51.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.263 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.009 HD13 HD12 ' A' ' 53' ' ' ILE . 1.6 tt -127.75 129.32 46.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.777 0.322 . . . . 0.0 111.228 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.69 ' N ' HD23 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -124.75 119.26 28.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.844 0.354 . . . . 0.0 110.11 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.94 148.51 17.05 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.332 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 m -119.13 142.54 47.84 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 111.911 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.732 ' HB1' ' OG ' ' A' ' 81' ' ' SER . . . -140.75 133.29 28.6 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.472 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.817 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 7.5 ttt -124.58 146.0 49.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.54 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.514 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 110.61 80.97 1.17 Allowed Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.108 -1.044 . . . . 0.0 111.392 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.938 ' HA ' HG22 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -116.06 161.96 18.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.803 0.335 . . . . 0.0 111.589 -178.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 103' ' ' GLU . 3.9 tt0 92.81 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.179 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.693 ' HA ' HD11 ' A' ' 79' ' ' LEU . 7.3 tt -72.69 137.93 22.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.224 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -97.65 138.82 34.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.675 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.79 127.57 32.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.84 38.34 73.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.488 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.417 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 9.1 t-160 -83.53 102.6 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.777 0.323 . . . . 0.0 111.071 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 61.18 124.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.044 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -108.68 121.03 44.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.781 ' CD ' HG21 ' A' ' 38' ' ' THR . 0.0 OUTLIER -148.15 -179.39 6.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.522 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -89.75 127.46 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.717 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.547 ' HA ' HG12 ' A' ' 36' ' ' VAL . 1.4 mt-10 -121.66 143.79 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 115' ' ' VAL . 11.0 p -70.2 114.7 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.406 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -85.8 19.44 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.559 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.534 ' H ' HG22 ' A' ' 115' ' ' VAL . . . -161.22 90.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.724 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.454 HG13 HD13 ' A' ' 138' ' ' LEU . 85.1 t -90.26 109.09 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.823 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 137' ' ' ILE . 2.9 m -113.07 129.9 56.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.838 -178.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 28.3 p90 -74.1 65.44 1.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 178.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.703 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 1.3 t-80 -62.03 -44.08 97.46 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.538 ' SD ' HD13 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -121.67 -62.33 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.743 0.306 . . . . 0.0 110.427 179.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.512 ' CG ' HG22 ' A' ' 136' ' ' VAL . 25.0 mtt 47.7 51.83 13.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.23 0.538 . . . . 0.0 110.389 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.58 162.78 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.658 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.701 HG23 ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -116.97 119.07 60.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 111.605 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.631 HD21 ' HE1' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -103.53 136.46 43.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.772 178.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.9 OUTLIER -98.69 122.4 41.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.06 0.457 . . . . 0.0 111.828 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -124.68 119.65 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.473 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 59.06 22.19 10.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.24 0.79 73.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.052 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.1 OUTLIER -100.24 145.3 28.23 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.736 HD11 ' H ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.97 142.24 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.131 0.491 . . . . 0.0 111.814 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -133.96 137.61 44.94 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.923 178.119 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.587 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -110.21 137.93 47.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.575 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -140.07 121.57 15.15 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -179.028 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.953 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 96.7 t -130.46 115.11 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.425 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.878 ' C ' HD23 ' A' ' 138' ' ' LEU . 1.9 mp -82.65 133.07 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-O 121.234 0.54 . . . . 0.0 110.501 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.931 HD21 HG12 ' A' ' 136' ' ' VAL . 1.2 mt -125.04 151.87 45.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.063 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.494 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -83.81 112.6 20.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.294 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.485 HD23 HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.382 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.481 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.877 -0.089 . . . . 0.0 112.877 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 2.8 p90 -107.05 140.01 40.55 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.474 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.95 134.51 20.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.898 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.481 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 9.8 p90 -114.44 147.55 39.1 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 14' ' ' GLY . 1.3 p90 -108.81 140.03 42.82 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.393 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.34 103.96 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -106.51 150.82 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.237 177.46 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.628 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 92.6 m -88.33 108.93 19.59 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.699 -0.401 . . . . 0.0 109.958 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.628 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 105.39 -44.23 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.32 0.581 . . . . 0.0 109.774 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.814 ' HB2' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.67 168.39 12.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.335 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.732 ' C ' HD13 ' A' ' 137' ' ' ILE . . . -149.0 120.24 7.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.526 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.713 ' N ' HD13 ' A' ' 137' ' ' ILE . . . -115.06 127.84 7.84 Favored Glycine 0 CA--C 1.508 -0.359 0 C-N-CA 120.117 -1.04 . . . . 0.0 110.855 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.658 ' HD2' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.41 147.27 29.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.402 0.62 . . . . 0.0 111.387 -178.312 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CE2' ' HB3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -111.58 125.36 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.673 179.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -126.43 156.99 39.74 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.365 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.624 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -126.15 159.6 32.47 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.329 -178.244 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.79 ' CA ' HD11 ' A' ' 132' ' ' ILE . . . -118.35 -162.57 12.29 Favored Glycine 0 CA--C 1.476 -2.368 0 CA-C-O 123.142 1.412 . . . . 0.0 113.912 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.505 ' H ' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -140.19 4.47 2.03 Favored 'General case' 0 N--CA 1.407 -2.583 0 CA-C-N 111.343 -2.429 . . . . 0.0 109.061 -179.071 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -176.67 34.7 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.548 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.562 ' O ' HG12 ' A' ' 25' ' ' VAL . 4.9 mp 67.69 -57.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.76 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.601 ' HB2' HG22 ' A' ' 85' ' ' VAL . 8.9 pm0 -62.45 -31.42 72.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.187 0.518 . . . . 0.0 109.973 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.505 ' HB2' ' H ' ' A' ' 20' ' ' HIS . 59.7 mm-40 -58.43 -43.94 88.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.398 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 22' ' ' LEU . 4.0 p -73.5 -38.5 52.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.377 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.67 ' HE1' HD12 ' A' ' 125' ' ' ILE . 7.1 m-85 -55.11 -42.9 73.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 0.0 110.45 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.952 ' HG3' HG13 ' A' ' 85' ' ' VAL . 6.3 mt-10 -57.51 -36.78 71.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.166 0.508 . . . . 0.0 109.736 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.45 -27.06 63.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.078 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.84 -42.01 64.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -90.88 -21.83 21.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.96 -37.12 48.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.658 ' HB1' ' HD2' ' A' ' 15' ' ' PHE . . . -58.47 -48.64 80.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.776 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.549 ' HE3' HD22 ' A' ' 69' ' ' LEU . 2.7 ptt? -71.95 -35.78 69.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.01 -36.4 69.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.56 -32.82 70.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.643 HG12 ' HB2' ' A' ' 113' ' ' ASP . 21.1 t -87.89 -31.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.993 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.445 ' HG3' HG21 ' A' ' 115' ' ' VAL . 26.9 mtp -78.69 -30.17 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.42 HG21 ' CB ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -160.75 -168.81 2.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.6 98.39 5.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.652 HG22 ' HB2' ' A' ' 80' ' ' PHE . 1.7 p -71.98 -21.68 61.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.68 -22.46 1.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.733 0.301 . . . . 0.0 111.081 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mp -105.82 38.75 1.92 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.616 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.1 p -91.27 114.71 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.281 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 -7.01 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.302 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.73 103.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.94 -19.83 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.639 ' O ' ' HA ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -148.93 169.52 20.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.958 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -143.24 124.06 14.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 99' ' ' THR . 4.8 mmm180 -121.0 152.53 38.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.447 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -123.78 142.82 50.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.919 0.39 . . . . 0.0 111.168 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.512 HG11 ' HG2' ' A' ' 68' ' ' GLU . 21.5 t -133.05 148.8 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.678 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.86 142.2 51.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.715 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.81 152.2 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.576 HG22 ' NE2' ' A' ' 95' ' ' HIS . 17.4 p -121.64 114.27 20.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.45 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 94' ' ' LEU . 30.2 t -120.84 163.92 17.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.337 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -151.93 40.1 0.63 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.772 0.32 . . . . 0.0 111.323 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' VAL . 0.6 OUTLIER -175.95 19.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 62.94 -69.35 0.07 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.775 0.321 . . . . 0.0 111.067 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.893 ' HA ' HG22 ' A' ' 125' ' ' ILE . 11.9 p -54.19 -45.08 66.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.474 ' N ' HG13 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -57.9 -38.31 75.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.488 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.517 HD12 HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.08 -36.57 70.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.984 0.421 . . . . 0.0 109.954 179.331 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.406 HD23 ' HB ' ' A' ' 125' ' ' ILE . 0.1 OUTLIER -71.97 -43.64 64.84 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.073 179.069 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.4 -35.03 74.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.682 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.91 -24.39 23.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.36 -53.08 61.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 111.003 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 HG11 ' A' ' 136' ' ' VAL . 0.5 OUTLIER -72.91 -41.21 64.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -179.669 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -51.1 -33.14 24.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.132 0.492 . . . . 0.0 109.842 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.512 ' HG2' HG11 ' A' ' 51' ' ' VAL . 1.2 tp10 -68.67 -35.89 77.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.779 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.67 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -71.17 -31.76 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.52 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.51 HD21 HG23 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -56.88 -50.28 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.699 -179.629 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -52.18 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.872 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.575 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 tp -54.27 -33.84 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.718 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.8 t60 -49.97 -52.55 32.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.139 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.14 -30.25 63.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 0.0 110.286 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.1 m -64.17 -19.1 65.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 78' ' ' ILE . 1.0 OUTLIER -166.05 70.21 0.13 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.713 178.72 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.651 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -49.4 92.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.565 179.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.784 HG21 ' CB ' ' A' ' 103' ' ' GLU . 2.5 pt -112.04 124.16 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.29 0.567 . . . . 0.0 111.13 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.805 ' HG ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -49.91 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.558 -179.22 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.652 ' HB2' HG22 ' A' ' 40' ' ' THR . 30.6 p90 -122.17 141.94 50.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 111.447 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -154.25 161.95 41.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.9 144.55 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 69' ' ' LEU . 51.1 m-85 -124.94 123.36 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.311 0.577 . . . . 0.0 112.113 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.401 ' HG2' ' HB ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -126.7 115.85 20.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.981 178.641 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.952 HG13 ' HG3' ' A' ' 27' ' ' GLU . 1.2 m -110.14 149.71 13.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.431 0.634 . . . . 0.0 111.24 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 97' ' ' THR . 5.1 tttp -127.79 119.13 25.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.672 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.677 ' CG2' HD21 ' A' ' 94' ' ' LEU . 6.5 mt -109.8 124.29 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.013 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.3 123.8 26.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.727 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -77.22 114.58 16.18 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.543 ' C ' ' H ' ' A' ' 92' ' ' ASP . 6.7 mmtp -75.12 -169.56 0.97 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.761 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.65 5.75 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER 171.23 -33.27 0.0 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.812 0.339 . . . . 0.0 110.357 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.65 -151.91 27.32 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.756 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.677 HD21 ' CG2' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -135.99 133.89 37.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.852 0.358 . . . . 0.0 111.8 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.576 ' NE2' HG22 ' A' ' 54' ' ' THR . 1.0 OUTLIER -127.26 120.65 29.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.942 178.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.715 HD22 ' CD1' ' A' ' 53' ' ' ILE . 9.8 tt -109.55 139.93 43.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.496 . . . . 0.0 111.802 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -123.11 119.26 29.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.782 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' A' ' 85' ' ' VAL . . . -118.6 148.48 18.42 Favored Glycine 0 C--N 1.32 -0.314 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.37 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 3.3 m -129.59 142.44 50.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.561 0.22 . . . . 0.0 111.242 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.93 131.66 35.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.066 0.46 . . . . 0.0 111.414 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 4.1 ptt? -131.82 155.74 47.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.599 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.02 34.75 7.45 Favored Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.357 -0.925 . . . . 0.0 111.235 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.784 ' CB ' HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -94.5 116.27 28.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.29 -0.455 . . . . 0.0 111.302 -178.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -179.78 98.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.367 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.805 HD12 ' HG ' ' A' ' 79' ' ' LEU . 7.3 tp -72.54 130.91 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.184 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.01 156.24 22.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -30.3 64.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -115.77 58.46 0.46 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.421 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.66 ' CB ' HD23 ' A' ' 79' ' ' LEU . 38.3 p-80 -59.29 141.91 53.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 0.0 110.771 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 38' ' ' THR . 0.7 OUTLIER -57.53 120.72 8.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -108.78 102.62 11.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -95.69 -72.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.643 ' HB2' HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -113.1 159.15 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.758 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.73 103.7 16.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.401 . . . . 0.0 111.097 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.477 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . 24.0 t -111.46 109.74 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.668 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -65.27 -26.87 68.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.347 -179.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.09 -172.63 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.925 0.393 . . . . 0.0 111.36 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.966 HG12 HD12 ' A' ' 138' ' ' LEU . 4.1 m -118.35 113.22 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.607 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.7 m -115.09 104.54 11.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 111.561 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -37.81 101.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.534 179.3 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.686 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 20.1 t-160 -55.13 -37.43 66.9 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 122.447 1.118 . . . . 0.0 108.634 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.406 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 178.61 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 112.922 -1.945 . . . . 0.0 107.845 -179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.448 ' SD ' HD13 ' A' ' 66' ' ' LEU . 3.1 mtm 54.13 56.0 7.56 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.176 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.686 ' HA ' HG23 ' A' ' 59' ' ' VAL . 29.0 mt-10 -117.52 134.39 54.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.131 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.893 HG22 ' HA ' ' A' ' 59' ' ' VAL . 9.6 tt -96.29 112.27 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.009 0.433 . . . . 0.0 110.928 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 126' ' ' LEU . 3.5 mm? -104.63 136.38 44.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.195 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.602 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 13.5 p-10 -106.73 121.84 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.061 0.458 . . . . 0.0 111.274 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.85 127.19 46.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.55 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 57.75 21.44 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 111.084 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 90.98 0.51 74.45 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.694 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.8 OUTLIER -98.61 145.69 26.59 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.896 ' H ' HD13 ' A' ' 132' ' ' ILE . 0.2 OUTLIER -100.56 143.23 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 CA-C-O 120.802 0.334 . . . . 0.0 111.867 -179.347 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -134.68 136.13 42.54 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.062 177.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -125.38 138.46 54.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.585 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.457 ' HB3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -116.77 119.91 36.9 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.777 HG11 HD11 ' A' ' 66' ' ' LEU . 23.2 t -130.44 116.5 35.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.845 ' O ' HD13 ' A' ' 138' ' ' LEU . 0.8 OUTLIER -85.28 140.41 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.152 0.981 . . . . 0.0 110.523 177.68 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.966 HD12 HG12 ' A' ' 118' ' ' VAL . 0.9 OUTLIER -128.64 151.88 49.0 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.983 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -81.38 112.1 18.35 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.298 -177.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' A' ' 13' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.657 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.688 -0.165 . . . . 0.0 112.688 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.571 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 14.0 p90 -141.9 139.56 32.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.76 0.314 . . . . 0.0 110.732 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -147.42 130.53 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.652 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 12.4 p90 -111.75 147.14 36.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.937 0.399 . . . . 0.0 111.634 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.0 140.22 42.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.111 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.98 107.37 5.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -106.32 151.08 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.908 178.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.627 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 91.3 m -90.23 104.94 17.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.203 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 109.7 -46.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.591 0.71 . . . . 0.0 109.581 -178.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.756 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -119.37 169.6 9.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.87 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 138' ' ' LEU . . . -146.17 121.37 10.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.445 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.962 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -117.77 137.06 12.9 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.086 -1.054 . . . . 0.0 112.946 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.545 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.22 155.39 19.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.587 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.571 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -111.31 140.81 45.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.28 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.91 ' HB1' ' HB3' ' A' ' 28' ' ' ASN . . . -119.76 136.82 54.29 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.541 0.686 . . . . 0.0 110.036 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.473 ' CE1' ' HG2' ' A' ' 133' ' ' LYS . 47.1 m-85 -112.97 152.27 29.59 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.942 -177.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.577 ' N ' HG13 ' A' ' 25' ' ' VAL . . . -129.77 -172.48 13.16 Favored Glycine 0 CA--C 1.473 -2.591 0 CA-C-O 122.918 1.288 . . . . 0.0 113.625 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -147.77 0.07 0.64 Allowed 'General case' 0 N--CA 1.408 -2.572 0 CA-C-N 111.809 -2.195 . . . . 0.0 110.47 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 4.5 t70 -178.73 34.36 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.769 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.1 mt 72.5 -57.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.001 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.0 mt-10 -57.51 -31.33 65.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.365 0.602 . . . . 0.0 110.386 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 1.8 mm-40 -66.58 -47.28 73.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.043 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.67 HG11 ' HB ' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -62.71 -52.24 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.669 -179.366 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' HB2' HG21 ' A' ' 85' ' ' VAL . 50.5 m-85 -49.86 -37.58 31.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.237 0.541 . . . . 0.0 110.173 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -69.86 -40.89 75.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.665 179.004 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.91 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 11.9 t-20 -70.65 -27.34 63.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.103 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' HB3' ' HE1' ' A' ' 65' ' ' TRP . . . -52.77 -49.41 65.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.385 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.443 ' HB1' ' CZ ' ' A' ' 83' ' ' PHE . . . -73.02 -27.76 61.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.908 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' HA ' ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -54.95 -31.34 60.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.403 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -68.72 -53.51 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 0.0 111.356 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.662 ' SD ' HD21 ' A' ' 66' ' ' LEU . 22.4 ptm -72.16 -41.49 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.131 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.914 ' CD2' HG21 ' A' ' 40' ' ' THR . 0.0 OUTLIER -66.55 -33.14 75.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.582 0.229 . . . . 0.0 111.552 -178.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.489 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -65.62 -30.83 71.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 m -99.74 -36.62 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.456 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.694 ' O ' HG23 ' A' ' 38' ' ' THR . 1.6 mmt -54.49 -22.84 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.393 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 37' ' ' MET . 0.2 OUTLIER 176.8 170.21 0.5 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.881 0.372 . . . . 0.0 111.091 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -96.85 87.74 4.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.615 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.914 HG21 ' CD2' ' A' ' 34' ' ' PHE . 1.7 p -71.97 -21.56 61.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.428 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.541 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 1.2 m -62.22 76.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.74 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER 170.93 -8.39 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.744 179.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.682 HG23 HD22 ' A' ' 42' ' ' LEU . 16.7 t -116.72 134.91 58.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.809 0.338 . . . . 0.0 110.74 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -79.04 -81.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.468 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 178.47 101.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.983 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.68 -2.68 26.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.22 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 103' ' ' GLU . 9.6 tp10 -149.49 168.47 23.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -178.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.05 141.3 31.27 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.976 0.417 . . . . 0.0 111.214 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.3 mmm180 -141.33 141.79 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.201 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -118.99 142.95 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 0.0 111.258 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.7 t -132.21 143.72 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -125.75 139.38 53.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.03 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.82 HD12 HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -139.72 151.94 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.079 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 m -122.09 114.44 20.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.782 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.634 ' HB3' HD23 ' A' ' 61' ' ' LEU . 15.1 t -120.79 163.88 17.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.321 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -141.58 29.94 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.636 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' VAL . 11.2 t70 -175.45 26.43 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.427 ' C ' HD11 ' A' ' 125' ' ' ILE . 1.4 mtm105 63.84 -67.39 0.1 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.834 0.35 . . . . 0.0 111.538 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 125' ' ' ILE . 25.0 m -54.04 -42.11 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.759 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -56.26 -40.21 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.884 -179.822 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.82 HD11 HD12 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -54.09 -52.88 59.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.799 0.333 . . . . 0.0 110.106 179.349 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.997 HD23 HG23 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -52.58 -41.71 63.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.048 0.452 . . . . 0.0 110.022 179.104 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -55.7 -35.1 65.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.374 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -97.3 -26.29 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.307 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.583 ' HE3' HD11 ' A' ' 53' ' ' ILE . 24.7 t-105 -59.15 -53.05 62.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.952 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.662 HD21 ' SD ' ' A' ' 33' ' ' MET . 0.4 OUTLIER -71.53 -45.05 63.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.33 -33.22 28.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.184 0.516 . . . . 0.0 109.61 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.57 -37.59 82.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.726 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' HA ' HG22 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -70.0 -31.93 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.565 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -58.23 -50.97 71.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.595 -179.512 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -52.14 20.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.867 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -53.91 -34.56 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.763 -179.435 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.454 ' CE1' ' CE ' ' A' ' 33' ' ' MET . 0.2 OUTLIER -50.33 -52.8 33.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.118 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -29.32 62.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.319 . . . . 0.0 110.318 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -63.66 -17.66 63.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.866 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -168.7 65.25 0.06 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.067 178.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.648 ' O ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -55.24 94.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.038 179.14 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 76' ' ' GLU . 12.6 pt -111.77 144.21 20.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.638 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.865 HD11 ' HA ' ' A' ' 109' ' ' HIS . 0.2 OUTLIER -62.64 -45.13 94.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.135 -179.115 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.524 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -119.78 144.77 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.166 0.508 . . . . 0.0 111.693 -178.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.4 t -154.32 130.51 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.894 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -91.04 150.61 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CZ ' ' HB1' ' A' ' 30' ' ' ALA . 25.8 m-85 -123.67 122.52 38.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.721 0.772 . . . . 0.0 112.403 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.54 115.27 15.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 177.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.529 HG11 ' N ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -110.42 148.89 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.957 0.884 . . . . 0.0 112.749 -177.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 97' ' ' THR . 4.4 tptm -130.38 139.61 50.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.332 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.505 HG13 ' HG3' ' A' ' 23' ' ' GLU . 96.2 mt -123.97 124.04 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.315 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -133.42 122.8 24.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.562 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -98.09 114.09 26.17 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.416 0.627 . . . . 0.0 109.706 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -120.67 -169.42 1.81 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.43 -179.443 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.12 8.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.773 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -121.21 39.71 3.76 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.475 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.36 -104.0 2.0 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.224 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.758 HD12 ' N ' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -136.44 141.22 43.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.6 0.238 . . . . 0.0 110.52 179.4 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.758 ' N ' HD12 ' A' ' 94' ' ' LEU . 6.0 t60 -127.58 143.88 51.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.807 HD13 ' CD1' ' A' ' 61' ' ' LEU . 9.4 tt -121.41 138.46 54.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.656 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.19 119.68 30.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.417 179.373 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -121.14 148.38 17.45 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.349 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -123.84 142.8 50.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.801 0.334 . . . . 0.0 111.54 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 49' ' ' ARG . . . -134.27 132.76 40.01 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.078 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.516 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.53 154.96 47.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.037 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.726 ' O ' HD12 ' A' ' 78' ' ' ILE . . . 104.88 60.52 0.65 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.859 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.4 tt0 -94.91 115.67 27.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.657 0.265 . . . . 0.0 110.874 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 1.3 tt0 168.41 98.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.648 HD13 ' O ' ' A' ' 77' ' ' PHE . 10.9 tp -86.89 127.63 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.738 ' H ' HD12 ' A' ' 79' ' ' LEU . 4.9 tttt -92.93 157.16 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.119 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.15 -54.97 40.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.12 57.38 3.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.315 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.865 ' HA ' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.27 106.72 0.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.949 0.405 . . . . 0.0 111.046 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 38' ' ' THR . 54.0 mt-10 -58.44 121.46 10.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -108.76 132.26 54.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.24 -76.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.02 159.06 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -116.78 110.92 19.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.418 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.829 ' HA ' ' OXT' ' A' ' 140' ' ' LEU . 12.7 p -111.13 112.25 39.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.351 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 140' ' ' LEU . 12.5 ptmt -63.47 -24.01 67.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.782 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.28 170.18 3.12 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 70' ' ' LEU . 8.0 p -117.89 108.88 25.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.591 178.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 121' ' ' HIS . 38.3 m -115.1 130.65 56.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.443 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 119' ' ' THR . 7.8 p90 -28.88 86.04 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.557 0.694 . . . . 0.0 111.336 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.913 ' NE2' HG13 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -77.19 -44.99 28.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.366 -178.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.516 ' HB3' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 171.56 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.804 ' HG2' HD12 ' A' ' 62' ' ' LEU . 6.5 ttm 43.8 63.14 1.68 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.728 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -141.48 143.52 33.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.104 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.997 HG23 HD23 ' A' ' 62' ' ' LEU . 5.8 pt -96.46 113.44 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 111.466 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.725 HD13 ' N ' ' A' ' 127' ' ' ASP . 0.4 OUTLIER -103.36 136.38 43.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.961 179.328 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.725 ' N ' HD13 ' A' ' 126' ' ' LEU . 2.0 p30 -101.39 122.5 43.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.1 0.476 . . . . 0.0 111.915 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -124.55 127.26 47.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.463 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 t0 59.27 20.32 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.985 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.07 0.64 73.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.053 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 13.6 mt -100.26 145.18 28.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.67 ' HB ' HG11 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -100.9 136.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.943 0.401 . . . . 0.0 111.925 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -134.31 137.07 43.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.198 178.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . . . -113.48 148.98 34.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.729 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD2' ' HB3' ' A' ' 122' ' ' MET . 0.0 OUTLIER -128.38 120.32 26.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.962 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 15.6 t -130.97 114.06 26.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.499 176.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.802 ' C ' HD23 ' A' ' 138' ' ' LEU . 0.2 OUTLIER -106.83 115.57 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.43 1.492 . . . . 0.0 109.567 177.536 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.928 HD21 HG12 ' A' ' 136' ' ' VAL . 1.1 mt -105.32 152.89 22.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.161 0.505 . . . . 0.0 112.204 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.85 112.86 19.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.0 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.829 ' OXT' ' HA ' ' A' ' 115' ' ' VAL . 9.1 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.631 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.709 -0.156 . . . . 0.0 112.709 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -104.48 140.01 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.372 . . . . 0.0 111.048 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -146.49 144.37 29.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.236 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.472 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 7.3 p90 -114.37 147.6 38.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.98 0.419 . . . . 0.0 111.958 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CE1' ' HA3' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -108.88 140.11 42.81 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.623 178.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -77.84 100.03 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.741 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.3 t -106.67 151.04 8.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.733 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.626 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.7 m -94.74 106.25 18.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.096 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.626 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 110.52 -43.59 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.433 0.635 . . . . 0.0 109.446 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.797 ' HB2' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.86 168.64 12.49 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.211 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.683 ' C ' HD13 ' A' ' 137' ' ' ILE . . . -147.96 120.09 8.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.427 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.718 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -116.51 136.31 12.72 Favored Glycine 0 CA--C 1.507 -0.419 0 C-N-CA 120.096 -1.049 . . . . 0.0 111.353 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.769 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -105.94 147.99 28.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.094 0.473 . . . . 0.0 110.589 -179.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.489 ' HA ' ' O ' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -120.25 125.3 47.76 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.975 179.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -123.19 149.69 44.32 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.151 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.586 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -113.16 146.83 38.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.769 -178.133 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.695 ' N ' HG13 ' A' ' 25' ' ' VAL . . . -108.31 -166.96 21.21 Favored Glycine 0 CA--C 1.472 -2.611 0 CA-C-O 123.212 1.451 . . . . 0.0 114.155 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.479 ' CG ' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -145.76 6.19 1.05 Allowed 'General case' 0 N--CA 1.406 -2.633 0 CA-C-N 111.218 -2.491 . . . . 0.0 109.481 -179.052 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -177.46 27.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.293 -179.757 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.606 HD23 HG21 ' A' ' 132' ' ' ILE . 4.8 mt 74.48 -55.83 0.65 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.642 0.377 . . . . 0.0 111.455 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.568 ' HB2' HG22 ' A' ' 85' ' ' VAL . 12.2 pm0 -62.81 -31.39 72.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.368 0.604 . . . . 0.0 109.513 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HG3' ' CG ' ' A' ' 20' ' ' HIS . 3.5 mm-40 -57.43 -40.98 79.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.787 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.695 HG13 ' N ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -72.54 -44.59 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.276 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.905 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 11.5 m-85 -49.96 -45.68 51.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.914 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.798 ' CG ' HG13 ' A' ' 85' ' ' VAL . 89.2 mt-10 -54.92 -44.88 74.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.64 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -70.15 -27.45 64.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.181 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 26' ' ' PHE . . . -52.98 -25.21 11.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.353 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.74 -27.22 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD12 ' HG3' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -66.51 -42.27 87.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.769 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -52.33 -51.3 59.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.409 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.2 ttp -69.89 -47.49 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.782 ' CD2' HG21 ' A' ' 40' ' ' THR . 0.0 OUTLIER -60.62 -33.49 72.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.874 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' HG3' HD12 ' A' ' 31' ' ' LEU . 1.5 mm-40 -60.64 -39.03 86.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.721 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -85.89 -41.47 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -23.88 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 t 171.57 148.47 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.738 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -72.94 87.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.734 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.782 HG21 ' CD2' ' A' ' 34' ' ' PHE . 18.6 p -68.89 -27.91 66.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -51.91 -20.01 2.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.656 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -8.48 55.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.657 0.265 . . . . 0.0 111.406 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 80' ' ' PHE . 40.9 t -118.84 135.12 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.465 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 6.0 mm-40 -79.81 -80.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.698 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 44' ' ' GLU . . . 174.11 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.535 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -97.69 -29.79 13.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.07 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.5 mm-40 -134.51 170.18 16.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.352 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -142.28 127.84 19.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.886 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.709 ' HD2' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -130.93 150.16 52.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.255 179.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -115.68 142.95 46.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.112 0.482 . . . . 0.0 111.298 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.2 t -125.95 149.09 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.457 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.24 143.52 50.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.191 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.793 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.53 152.05 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.918 0.39 . . . . 0.0 111.616 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -119.46 114.53 22.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.328 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.8 t -120.58 163.51 17.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.176 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HG2' ' HA2' ' A' ' 93' ' ' GLY . 16.8 mt-10 -152.74 23.55 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.759 0.314 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.8 t0 -164.11 16.29 0.06 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.995 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 2.3 ttp-105 64.86 -65.79 0.14 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 111.326 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.928 HG23 ' CB ' ' A' ' 124' ' ' GLU . 7.4 p -54.21 -47.13 68.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.867 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.489 ' N ' HG13 ' A' ' 59' ' ' VAL . 1.4 m -57.45 -34.88 69.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.421 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.048 HD11 HD13 ' A' ' 96' ' ' LEU . 2.7 tm? -54.01 -51.24 64.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 110.652 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.672 HD22 ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -57.17 -37.91 72.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.121 0.486 . . . . 0.0 110.348 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -60.5 -35.1 75.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.208 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -98.84 -22.15 15.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.599 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.525 ' CE3' HD11 ' A' ' 53' ' ' ILE . 6.5 t-105 -62.85 -53.42 54.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.772 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -73.13 -42.44 62.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -34.14 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.141 0.496 . . . . 0.0 109.725 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.16 -45.54 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.903 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD13 HD11 ' A' ' 72' ' ' ILE . 2.9 mm? -72.18 -32.02 66.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.904 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.126 HD21 HG21 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -63.61 -52.33 61.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.735 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.921 ' O ' HG23 ' A' ' 75' ' ' THR . 1.0 OUTLIER -57.16 -52.45 65.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.677 -179.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 73' ' ' HIS . 2.1 pp -64.34 -44.32 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 111.768 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.503 ' N ' HD12 ' A' ' 72' ' ' ILE . 36.1 m170 -52.36 -48.31 65.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.944 0.402 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -29.1 62.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.412 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.921 HG23 ' O ' ' A' ' 71' ' ' PHE . 68.8 p -64.14 -2.24 1.96 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.688 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 75' ' ' THR . 1.5 tp10 80.18 43.8 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.203 0.525 . . . . 0.0 110.213 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.422 ' CD2' ' HB ' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -84.73 -77.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.867 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.536 ' H ' HD13 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -131.65 152.45 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.817 -178.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.706 HD22 ' HB3' ' A' ' 109' ' ' HIS . 7.0 tp -88.38 -39.85 13.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.101 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -119.83 144.49 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.855 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.45 130.48 10.24 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.204 -0.599 . . . . 0.0 112.185 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -85.88 128.53 34.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -105.23 122.66 46.4 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.568 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.1 114.71 14.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.231 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.798 HG13 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -111.9 150.07 14.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.497 0.665 . . . . 0.0 111.84 -177.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.651 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.4 OUTLIER -126.59 118.99 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.682 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 22' ' ' LEU . 4.5 mt -107.63 144.64 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.389 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 12.1 m-20 -131.93 121.23 23.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.021 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.75 113.04 26.37 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.807 0.813 . . . . 0.0 111.018 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.819 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -132.28 -167.95 1.97 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.323 -1.308 . . . . 0.0 108.676 179.139 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 90' ' ' LYS . 70.4 m-20 -4.13 -45.74 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.819 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER 167.31 -36.66 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.431 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -86.87 100.13 2.53 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.566 HD23 ' H ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -94.22 127.48 40.1 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.186 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -100.36 143.73 30.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.136 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.048 HD13 HD11 ' A' ' 61' ' ' LEU . 10.4 tt -110.2 141.66 42.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.651 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -119.34 119.21 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.39 178.431 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.568 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -122.65 148.82 16.93 Favored Glycine 0 C--N 1.32 -0.338 0 C-N-CA 120.926 -0.654 . . . . 0.0 114.104 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -118.79 142.7 47.47 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.463 0.305 . . . . 0.0 111.43 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.709 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . . . -135.21 132.7 38.22 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.066 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.566 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 5.4 ptm -130.64 155.36 46.69 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.062 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.541 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 97.35 55.26 1.19 Allowed Glycine 0 C--N 1.335 0.492 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.649 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.531 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.1 tt0 -92.77 115.93 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.055 0.455 . . . . 0.0 111.486 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 173.61 65.53 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.535 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.849 HD13 ' N ' ' A' ' 106' ' ' LYS . 0.2 OUTLIER -72.71 135.9 26.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.114 -179.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.849 ' N ' HD13 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -122.44 142.33 50.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.573 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.09 106.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.29 38.55 95.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.216 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.706 ' HB3' HD22 ' A' ' 79' ' ' LEU . 1.1 t-160 -76.48 108.11 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.242 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 60.75 115.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -108.72 137.51 46.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 -67.17 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.749 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -128.32 145.17 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -120.97 103.68 9.23 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.329 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.3 m -97.41 122.27 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.784 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -67.12 -8.68 32.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . -179.75 167.17 1.36 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.959 0.409 . . . . 0.0 111.96 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 1.126 HG21 HD21 ' A' ' 70' ' ' LEU . 70.3 t -118.21 108.75 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.592 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 137' ' ' ILE . 11.6 m -115.53 104.36 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.323 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.548 ' HB3' ' HE3' ' A' ' 123' ' ' MET . 10.0 p90 -42.48 110.91 0.2 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.668 ' H ' ' H ' ' A' ' 137' ' ' ILE . 2.5 t60 -55.23 -42.58 73.61 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.85 1.31 . . . . 0.0 108.159 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.423 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 31.6 tpp -165.64 -35.39 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 112.141 -2.3 . . . . 0.0 107.264 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.621 ' HG2' HG22 ' A' ' 136' ' ' VAL . 12.2 mtt 51.55 70.96 0.48 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.819 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.928 ' CB ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -157.99 146.64 19.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.316 -179.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 75.4 mt -96.5 114.06 32.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.23 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -103.15 136.41 42.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.529 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.7 OUTLIER -96.59 121.8 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.424 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 2.8 pp20? -125.24 126.82 45.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.065 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 t70 60.03 20.52 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 87.99 0.51 83.24 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -97.53 146.24 25.45 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.619 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.606 HG21 HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -99.96 135.81 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.214 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 24.4 mtpp -134.31 136.66 43.65 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.914 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -117.43 144.09 45.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.225 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.423 ' HD2' ' CB ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -130.26 121.74 26.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -178.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.772 HG11 ' CD1' ' A' ' 66' ' ' LEU . 18.6 t -130.09 116.26 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.946 ' C ' HD22 ' A' ' 138' ' ' LEU . 0.7 OUTLIER -85.7 141.55 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.8 1.24 . . . . 0.0 110.228 177.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.946 HD22 ' C ' ' A' ' 137' ' ' ILE . 2.6 mm? -128.76 150.89 50.1 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.701 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -82.54 136.91 34.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.479 0.656 . . . . 0.0 112.057 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.922 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.9 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 120.372 -0.127 . . . . 0.0 113.166 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 15.0 p90 -142.02 139.6 32.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.956 0.378 . . . . 0.0 111.263 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -147.22 135.16 21.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.307 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.483 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 6.6 p90 -114.55 147.31 39.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 112.117 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.458 ' CE2' ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -109.16 140.22 43.03 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.638 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -84.02 104.07 13.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.0 OUTLIER -106.45 150.89 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.608 177.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.63 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.1 m -88.03 110.86 20.93 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.63 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 104.73 -44.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.405 0.622 . . . . 0.0 109.329 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.76 ' HB2' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.88 168.25 13.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.916 179.542 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.672 ' C ' HD13 ' A' ' 137' ' ' ILE . . . -148.75 120.5 8.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.221 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.762 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -110.38 136.24 13.45 Favored Glycine 0 CA--C 1.505 -0.558 0 C-N-CA 119.677 -1.249 . . . . 0.0 111.582 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.735 ' CZ ' HG21 ' A' ' 36' ' ' VAL . 2.4 m-85 -105.75 157.4 17.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.169 0.509 . . . . 0.0 110.604 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 28.8 m95 -111.44 131.59 55.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.698 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.717 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.37 149.2 42.23 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-O 121.3 0.571 . . . . 0.0 109.788 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -112.43 159.34 18.84 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.471 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.578 ' CA ' HG13 ' A' ' 25' ' ' VAL . . . -112.16 -174.42 19.54 Favored Glycine 0 CA--C 1.489 -1.537 0 CA-C-O 122.623 1.124 . . . . 0.0 114.652 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -150.62 1.75 0.45 Allowed 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 112.393 -1.903 . . . . 0.0 110.389 -178.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 0.7 OUTLIER 165.29 37.4 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.224 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.0 HD22 HD12 ' A' ' 132' ' ' ILE . 2.9 mm? 71.66 -54.96 0.67 Allowed 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.379 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.769 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -54.86 -42.64 72.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.083 0.468 . . . . 0.0 110.121 179.187 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 1.9 tp10 -53.35 -47.6 69.24 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.578 HG13 ' CA ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -62.56 -40.3 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.942 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 60.5 m-85 -54.48 -54.18 44.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.685 0.279 . . . . 0.0 111.727 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.705 ' CG ' HG12 ' A' ' 85' ' ' VAL . 1.1 mm-40 -70.34 -32.86 70.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.767 0.317 . . . . 0.0 110.585 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.534 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 35.5 t-20 -60.86 -28.28 68.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -45.98 77.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.726 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.01 -27.65 67.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.72 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -58.14 -56.71 18.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.223 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.528 ' HB1' ' CB ' ' A' ' 15' ' ' PHE . . . -55.25 -41.3 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.347 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.8 -48.66 44.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.291 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.456 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 4.7 m-85 -65.55 -42.33 91.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HG3' HD23 ' A' ' 31' ' ' LEU . 2.1 mt-10 -53.49 -30.76 42.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.735 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 21.6 t -95.51 -39.86 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.232 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.651 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -58.79 -37.86 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 37' ' ' MET . 0.1 OUTLIER 179.09 -172.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.982 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.17 146.78 43.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -58.12 -41.02 82.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.411 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.673 ' CB ' HD13 ' A' ' 42' ' ' LEU . 15.9 t 68.95 -62.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.562 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.673 HD13 ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -149.87 34.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.628 0.252 . . . . 0.0 111.609 -179.791 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 40' ' ' THR . 13.2 t -91.34 113.83 27.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 44.6 mm-40 -94.06 16.47 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.376 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . 79.25 75.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 110.816 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.36 -44.97 20.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.313 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.568 ' O ' ' HA ' ' A' ' 101' ' ' MET . 14.6 mm-40 -114.29 170.75 8.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.088 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.76 141.02 33.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.704 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.647 ' HD2' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -137.4 122.99 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -106.26 142.83 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.742 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 97' ' ' THR . 23.8 t -130.43 146.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.75 133.65 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.695 HD11 ' CE3' ' A' ' 65' ' ' TRP . 0.3 OUTLIER -139.85 147.47 23.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.73 HG22 ' CD2' ' A' ' 95' ' ' HIS . 10.4 p -122.53 112.63 18.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.992 0.425 . . . . 0.0 110.839 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.595 ' HB3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.58 163.86 19.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.655 178.167 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -140.45 56.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.462 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.8 t0 -179.47 22.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? 60.85 -74.32 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.754 0.312 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' ASP . 33.7 m -54.23 -41.81 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -56.34 -41.22 75.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.159 179.455 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.942 HD23 ' CZ ' ' A' ' 26' ' ' PHE . 15.3 tp -53.94 -35.27 61.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.779 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.98 HD23 HG23 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -72.58 -48.56 38.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.254 179.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -55.37 -39.0 69.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.317 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.92 -15.0 40.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.413 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.695 ' CE3' HD11 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -72.88 -53.15 12.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.834 0.349 . . . . 0.0 111.235 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.707 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.6 OUTLIER -70.96 -42.48 69.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.112 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -33.28 20.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.183 0.516 . . . . 0.0 109.888 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.3 tp10 -67.72 -38.87 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.639 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.8 -31.85 73.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.522 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.413 HD21 HG13 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -53.52 -52.55 59.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.949 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -71.46 -44.07 65.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 68' ' ' GLU . 18.6 mt -59.48 -34.49 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.231 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -50.27 -52.95 32.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.197 -179.563 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.57 -32.49 64.17 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.805 0.336 . . . . 0.0 110.231 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.4 m -64.15 -18.68 64.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 78' ' ' ILE . 2.9 mt-10 -164.31 72.32 0.23 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.845 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.611 ' CD1' HG21 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -58.77 92.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.503 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.509 ' CG2' ' HA ' ' A' ' 103' ' ' GLU . 1.1 pt -112.98 138.0 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.841 HD21 ' HB2' ' A' ' 109' ' ' HIS . 88.4 mt -54.58 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 34' ' ' PHE . 9.9 t80 -126.28 155.39 42.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.416 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' A' ' 101' ' ' MET . 2.0 t -154.21 163.51 40.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.436 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -80.12 138.27 36.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.054 0.454 . . . . 0.0 110.094 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.586 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 51.2 m-85 -105.57 122.52 46.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 112.877 -177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.4 ' HG2' ' CB ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -132.39 125.38 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.063 177.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.769 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -126.38 150.31 31.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.997 0.903 . . . . 0.0 112.755 -177.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -127.85 139.75 52.44 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 113.923 -1.49 . . . . 0.0 110.71 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.4 HG13 ' CG ' ' A' ' 23' ' ' GLU . 12.8 mt -126.26 123.58 63.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.369 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -133.71 122.65 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.387 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.23 113.84 25.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.394 0.616 . . . . 0.0 109.791 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -120.16 -169.49 1.8 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.392 -179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.19 9.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.679 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 90' ' ' LYS . 3.3 m-20 -123.81 39.16 4.03 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.132 0.491 . . . . 0.0 109.885 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.64 -102.77 2.02 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.783 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.939 HD12 ' N ' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -136.58 146.93 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.939 ' N ' HD12 ' A' ' 94' ' ' LEU . 47.1 t-80 -127.05 143.98 51.15 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.739 0.304 . . . . 0.0 111.579 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 61' ' ' LEU . 6.9 tt -121.39 136.19 54.99 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.349 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.652 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.97 119.71 29.52 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 178.182 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -122.58 148.65 16.94 Favored Glycine 0 C--N 1.315 -0.583 0 C-N-CA 121.083 -0.579 . . . . 0.0 113.789 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.4 ' CB ' ' HG2' ' A' ' 84' ' ' LYS . 3.2 m -128.33 142.67 51.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.814 0.34 . . . . 0.0 111.592 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.647 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . . . -140.2 132.29 27.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.72 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.568 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.98 155.03 47.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.925 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.429 ' CA ' ' HA ' ' A' ' 45' ' ' ALA . . . 104.41 54.11 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.279 -0.963 . . . . 0.0 111.539 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.526 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.3 tt0 -99.5 118.16 35.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.891 0.377 . . . . 0.0 111.24 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 177.84 82.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.058 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.611 HG21 ' CD1' ' A' ' 77' ' ' PHE . 1.1 tt -72.53 138.09 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.802 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -112.68 144.03 42.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.688 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.14 -49.16 33.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.952 0.406 . . . . 0.0 110.553 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -96.26 55.86 1.5 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.63 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.841 ' HB2' HD21 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.03 152.31 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 111.321 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 38' ' ' THR . 8.9 tp10 -66.54 132.92 49.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.416 ' HD2' ' CE1' ' A' ' 109' ' ' HIS . 0.7 OUTLIER -108.61 137.12 47.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -63.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.738 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.23 149.67 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -86.47 104.08 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 115' ' ' VAL . 14.8 p -108.18 113.09 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -65.53 -25.33 67.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.142 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 174.69 -177.23 0.09 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.946 0.403 . . . . 0.0 111.671 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.897 HG23 ' CD1' ' A' ' 138' ' ' LEU . 2.7 p -117.33 110.05 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.614 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.3 m -115.25 104.51 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.328 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 34.6 p90 -40.95 106.85 0.06 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.362 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.678 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 4.5 t60 -55.24 -38.45 68.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 122.866 1.317 . . . . 0.0 108.02 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.48 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -176.96 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 112.056 -2.338 . . . . 0.0 106.975 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.668 ' HG3' HG22 ' A' ' 136' ' ' VAL . 0.8 OUTLIER 51.33 62.84 2.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.141 178.402 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -133.33 142.99 48.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.037 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.98 HG23 HD23 ' A' ' 62' ' ' LEU . 4.1 pt -96.41 113.16 30.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.99 136.46 42.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.18 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 1.5 m-20 -97.91 122.45 41.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.003 0.43 . . . . 0.0 111.811 -178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.55 118.35 26.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.448 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.95 23.6 13.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.42 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.38 0.74 72.85 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.533 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.543 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 12.8 mt -101.99 145.73 28.87 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 1.0 HD12 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.6 136.55 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.883 -179.256 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.717 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 4.2 mttp -134.15 137.41 44.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.412 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -115.58 148.3 39.74 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.277 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HD2' ' CB ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -125.71 120.17 29.94 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -179.175 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.762 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 11.1 t -130.43 116.81 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.938 ' C ' HD22 ' A' ' 138' ' ' LEU . 0.8 OUTLIER -85.86 140.82 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.364 1.066 . . . . 0.0 110.069 177.082 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.938 HD22 ' C ' ' A' ' 137' ' ' ILE . 2.4 mm? -131.04 151.94 50.88 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.919 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 115' ' ' VAL . 0.7 OUTLIER -81.79 112.21 18.73 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.627 -177.188 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.491 ' HB3' ' HA ' ' A' ' 115' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.536 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.91 0.386 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -65.61 -50.62 64.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.88 8.26 68.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.001 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.611 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.9 p90 -141.83 139.5 32.72 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.753 0.311 . . . . 0.0 110.934 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' TRP . 10.6 pt-20 -147.26 128.11 14.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.441 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 25.8 p90 -111.9 147.57 35.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.125 0.488 . . . . 0.0 112.176 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.01 154.21 22.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.755 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -89.95 102.89 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.789 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.4 t -106.44 151.06 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.969 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.632 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 67.9 m -94.95 110.84 22.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.632 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 106.77 -45.88 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.789 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -123.66 168.88 12.08 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.318 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.608 ' C ' HG23 ' A' ' 137' ' ' ILE . . . -147.66 120.97 8.97 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.505 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.79 ' HA2' ' HA ' ' A' ' 137' ' ' ILE . . . -116.39 135.94 12.46 Favored Glycine 0 CA--C 1.502 -0.773 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.925 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.783 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.36 154.84 20.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.972 -0.614 . . . . 0.0 109.759 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.611 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -111.07 130.96 55.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.611 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.23 150.47 40.03 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-O 121.54 0.686 . . . . 0.0 110.376 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -112.7 159.45 18.9 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.284 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.55 ' CA ' HG13 ' A' ' 25' ' ' VAL . . . -112.08 -152.51 11.86 Favored Glycine 0 CA--C 1.492 -1.405 0 CA-C-O 122.551 1.084 . . . . 0.0 114.455 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.423 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -179.36 -28.94 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 112.479 -1.86 . . . . 0.0 109.222 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -154.95 29.9 0.41 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.339 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.006 HD22 HD12 ' A' ' 132' ' ' ILE . 0.2 OUTLIER 76.79 -56.71 0.55 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.013 -179.285 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.741 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -57.81 -33.4 68.55 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 4.7 tp10 -54.75 -47.17 74.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.797 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.55 HG13 ' CA ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -63.75 -45.5 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' HE2' HD12 ' A' ' 22' ' ' LEU . 94.5 m-85 -56.32 -54.8 41.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.761 ' HB3' HG12 ' A' ' 85' ' ' VAL . 2.8 pp20? -66.2 -32.59 74.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.59 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 8.8 t-20 -65.44 -27.61 68.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.542 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.28 98.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.25 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.342 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -59.33 -35.93 74.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.282 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.783 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -53.22 -47.99 68.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.46 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -71.8 -48.77 44.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -47.84 84.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.758 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG3' HD12 ' A' ' 31' ' ' LEU . 2.9 mt-10 -53.49 -30.55 41.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.762 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.775 HG12 ' HB2' ' A' ' 113' ' ' ASP . 17.8 t -104.07 -24.86 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 33' ' ' MET . 1.8 tpt -75.76 -24.62 56.06 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.846 0.355 . . . . 0.0 110.429 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.3 t -165.88 -167.28 1.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -125.37 88.09 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.18 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.552 ' HB ' ' HA ' ' A' ' 80' ' ' PHE . 2.6 p -68.27 -22.11 64.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.9 p -62.25 78.19 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.946 0.403 . . . . 0.0 110.975 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER 173.3 -35.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.052 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 52.9 t -96.19 134.76 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.832 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -80.8 -82.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 44' ' ' GLU . . . 175.89 103.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.702 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -97.19 -23.24 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.098 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.581 ' HB2' ' HB3' ' A' ' 103' ' ' GLU . 4.9 mm-40 -136.65 170.67 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.239 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -141.78 142.95 33.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 100' ' ' ALA . 3.0 mtp180 -141.31 147.09 37.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.34 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -123.96 142.8 50.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.912 0.387 . . . . 0.0 111.158 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 97' ' ' THR . 38.9 t -125.09 147.4 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 140.01 53.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.317 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.682 HD12 ' HG ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.75 151.42 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.259 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.8 m -121.9 113.86 20.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.699 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 94' ' ' LEU . 38.3 m -121.25 164.4 17.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.798 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -149.27 41.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' VAL . 1.5 t0 -166.3 5.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? 62.7 -70.52 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 111.216 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' ASP . 10.1 p -54.15 -35.67 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -70.73 -29.99 66.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.646 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -53.96 -39.47 65.98 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.455 HD23 HD11 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -65.75 -48.57 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.792 178.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.407 ' OH ' ' CE2' ' A' ' 120' ' ' PHE . 11.7 t80 -56.97 -34.97 68.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.866 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.76 -19.69 22.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.464 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.577 ' CE3' HD11 ' A' ' 53' ' ' ILE . 2.6 t-105 -72.72 -53.22 12.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.752 0.311 . . . . 0.0 111.254 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.093 HD13 HG11 ' A' ' 136' ' ' VAL . 0.7 OUTLIER -71.22 -41.47 70.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.885 -179.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.57 -33.77 60.8 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -36.25 83.79 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.412 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.557 ' HG ' HD11 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -65.56 -32.07 73.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.437 179.351 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -57.52 -47.26 82.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.815 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.17 -52.31 24.46 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.557 HD11 ' HG ' ' A' ' 69' ' ' LEU . 4.1 pt -58.59 -33.44 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.569 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -49.46 -51.49 35.51 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.991 -179.386 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.14 -29.57 62.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.734 0.302 . . . . 0.0 110.219 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.3 m -64.14 -18.69 64.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -167.32 68.11 0.09 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.053 178.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.655 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -62.89 95.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.149 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.724 HG21 ' HA ' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -112.33 152.77 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.955 -178.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.833 HD23 ' CD2' ' A' ' 109' ' ' HIS . 0.2 OUTLIER -65.95 -45.53 81.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.573 -178.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.587 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 2.2 t80 -119.5 147.59 44.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.511 . . . . 0.0 111.819 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.5 t -154.31 130.5 10.37 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.262 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -91.48 146.75 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 14.6 m-85 -117.07 121.48 41.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.893 0.854 . . . . 0.0 112.727 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.648 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.2 OUTLIER -133.38 135.87 44.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.242 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.761 HG12 ' HB3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -131.63 149.45 32.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.84 0.829 . . . . 0.0 112.579 -178.11 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.679 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.8 ttpt -129.63 118.96 22.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.368 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.51 HD11 ' CD2' ' A' ' 26' ' ' PHE . 9.5 mt -116.02 124.51 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.152 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -131.68 122.81 26.57 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.181 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.475 ' HA ' HD22 ' A' ' 94' ' ' LEU . 1.5 pt-20 -77.13 114.17 15.65 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' A' ' 92' ' ' ASP . 5.7 mmtm -75.02 -169.59 0.95 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.443 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.95 4.44 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' A' ' 90' ' ' LYS . 10.9 p-10 171.29 -32.52 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.936 0.398 . . . . 0.0 110.309 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.84 -157.66 33.89 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.183 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -135.91 145.31 46.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.511 -0.345 . . . . 0.0 111.042 -178.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.451 ' O ' ' HA ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -127.37 143.72 51.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.833 179.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.858 ' HB2' HD21 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -127.92 125.56 39.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.642 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.741 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -125.33 119.22 27.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.051 0.453 . . . . 0.0 109.845 178.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.648 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.76 148.71 17.06 Favored Glycine 0 C--N 1.317 -0.525 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.744 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.403 ' CB ' ' HG2' ' A' ' 84' ' ' LYS . 9.5 m -118.97 142.86 47.41 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.928 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ARG . . . -134.69 132.75 39.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.666 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.539 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 8.2 ptp -130.47 155.69 46.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.565 0.222 . . . . 0.0 111.33 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 97.6 64.11 0.89 Allowed Glycine 0 C--N 1.334 0.436 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.961 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.724 ' HA ' HG21 ' A' ' 78' ' ' ILE . 29.7 tt0 -109.02 116.96 32.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.031 0.443 . . . . 0.0 111.556 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.54 86.67 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.677 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.655 HD12 ' O ' ' A' ' 77' ' ' PHE . 5.3 tt -79.43 137.91 20.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.373 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -103.77 167.48 9.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.75 -44.49 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.792 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -104.61 64.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.305 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.833 ' CD2' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.32 144.7 53.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.444 ' H ' HD21 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -82.7 108.37 16.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.4 ' HD3' ' HB3' ' A' ' 109' ' ' HIS . 3.4 mmm180 -108.78 137.54 46.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -114.6 -76.83 0.57 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.775 ' HB2' HG12 ' A' ' 36' ' ' VAL . 38.6 t70 -91.78 158.69 16.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.738 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -121.09 113.5 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 111.493 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.457 HG21 HD12 ' A' ' 138' ' ' LEU . 3.1 p -111.39 129.12 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.411 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 4.0 mmtt -88.5 -19.97 25.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.995 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.29 173.73 0.08 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.579 HG13 HD13 ' A' ' 138' ' ' LEU . 0.7 OUTLIER -118.24 108.26 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.388 178.136 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 120' ' ' PHE . 1.1 m -115.93 104.25 11.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.895 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.538 ' C ' ' O ' ' A' ' 119' ' ' THR . 2.2 m-85 17.83 53.17 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.673 0.749 . . . . 0.0 110.703 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.781 ' NE2' HG13 ' A' ' 136' ' ' VAL . 0.7 OUTLIER -55.07 -44.91 75.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.619 -177.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.486 ' HB3' ' CD ' ' A' ' 135' ' ' ARG . 5.4 mmt -169.26 -63.66 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.482 ' HG3' ' C ' ' A' ' 122' ' ' MET . 0.0 OUTLIER 46.1 40.33 7.06 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.279 177.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 2.5 tt0 -114.95 134.17 55.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.302 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 134' ' ' ALA . 14.2 mm -106.06 113.15 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.973 0.416 . . . . 0.0 111.38 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.64 136.56 43.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.309 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.51 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -109.87 122.66 48.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.997 0.427 . . . . 0.0 111.637 -179.443 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -124.46 128.27 48.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.7 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.54 20.35 8.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.86 0.362 . . . . 0.0 111.259 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.17 0.66 73.62 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.197 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 14.6 mt -98.2 145.4 26.65 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 1.006 HD12 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.76 141.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.328 0.585 . . . . 0.0 111.861 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -134.16 137.66 44.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.598 178.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 125' ' ' ILE . . . -116.54 148.64 40.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.629 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -124.01 119.8 30.58 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 1.093 HG11 HD13 ' A' ' 66' ' ' LEU . 21.6 t -130.95 114.92 28.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.79 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -103.39 140.92 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.025 0.93 . . . . 0.0 109.884 176.703 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.632 HD23 ' C ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -113.99 151.58 32.17 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.127 -176.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -81.7 141.36 33.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.521 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.566 HD13 ' CA ' ' A' ' 11' ' ' ALA . 6.8 tp . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.726 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.5 mtt . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.769 0.318 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -97.4 37.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.61 19.45 68.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.757 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.705 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.2 p90 -141.61 139.82 33.18 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.491 0.186 . . . . 0.0 110.767 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 16' ' ' TRP . 3.6 pt-20 -147.3 133.05 18.93 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 111.563 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -97.04 148.25 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.973 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -108.41 140.07 42.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.966 0.412 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -59.08 101.97 0.11 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.072 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.094 HG21 ' O ' ' A' ' 12' ' ' ASP . 2.0 p -107.17 153.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.852 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.697 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 46.4 m -106.01 56.93 0.66 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.097 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . 148.95 -60.9 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.724 0.297 . . . . 0.0 110.487 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 1.094 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.01 123.35 40.18 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.152 0.501 . . . . 0.0 111.722 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.719 ' N ' HG11 ' A' ' 9' ' ' VAL . . . -99.22 128.17 45.31 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.987 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -109.89 146.52 17.1 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.096 -1.201 . . . . 0.0 110.096 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.81 ' CE2' HG21 ' A' ' 36' ' ' VAL . 2.4 m-85 -105.71 153.44 21.84 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.003 0.43 . . . . 0.0 110.844 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.705 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -110.97 126.06 54.37 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.388 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.802 ' HB3' ' HB3' ' A' ' 134' ' ' ALA . . . -119.4 161.35 20.65 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.495 0.664 . . . . 0.0 110.682 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' C ' HG13 ' A' ' 25' ' ' VAL . 46.9 m-85 -119.65 159.6 24.11 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.35 -1.296 . . . . 0.0 111.49 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.551 ' HA3' ' CG1' ' A' ' 132' ' ' ILE . . . -116.11 177.37 16.95 Favored Glycine 0 CA--C 1.49 -1.479 0 CA-C-O 122.361 0.978 . . . . 0.0 114.213 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -147.02 4.28 0.83 Allowed 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 112.989 -1.606 . . . . 0.0 110.206 -179.293 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 0.6 OUTLIER 158.13 35.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.297 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.68 HD12 ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 72.57 -49.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 -179.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.8 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -59.19 -42.77 91.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 20' ' ' HIS . 1.2 tp10 -53.49 -47.36 69.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.691 HG21 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -66.26 -31.85 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' A' ' 22' ' ' LEU . 31.6 m-85 -60.16 -54.33 47.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.691 0.281 . . . . 0.0 111.59 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.618 ' CG ' HG12 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -67.58 -34.85 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.262 179.64 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.55 -27.26 68.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.258 0.552 . . . . 0.0 109.677 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.933 ' HB1' ' CZ2' ' A' ' 65' ' ' TRP . . . -70.08 -14.3 62.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.72 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.605 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -98.74 -13.59 20.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.667 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.794 HD12 ' CD1' ' A' ' 83' ' ' PHE . 4.9 tt -89.17 -33.27 17.1 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.541 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -48.51 -45.77 37.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 111.114 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.4 tpt -71.99 -36.68 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 2.5 m-85 -70.99 -48.21 54.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.237 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.615 ' HB2' HD23 ' A' ' 31' ' ' LEU . 1.2 tm-20 -53.46 -30.32 40.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.016 0.436 . . . . 0.0 110.546 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.81 HG21 ' CE2' ' A' ' 15' ' ' PHE . 21.8 t -89.59 -48.13 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.358 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.567 ' HG3' HG22 ' A' ' 38' ' ' THR . 17.6 ptm -47.92 -48.48 31.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.165 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.647 ' CG2' HD12 ' A' ' 79' ' ' LEU . 0.7 OUTLIER 165.33 170.16 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.17 159.15 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.035 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -58.65 -27.2 64.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.706 ' CB ' HD13 ' A' ' 42' ' ' LEU . 54.6 m 69.72 -62.17 0.43 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.387 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.706 HD13 ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -154.05 32.36 0.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 40' ' ' THR . 2.4 t -106.69 102.98 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 110.718 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -106.1 92.0 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.143 0.497 . . . . 0.0 111.261 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.403 ' HA ' ' N ' ' A' ' 102' ' ' GLY . . . 41.49 60.47 2.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.865 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -74.67 -22.88 58.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.915 0.388 . . . . 0.0 110.62 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.678 ' O ' ' HA ' ' A' ' 101' ' ' MET . 0.4 OUTLIER -148.98 170.75 17.64 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.289 -179.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HA ' ' HG3' ' A' ' 101' ' ' MET . 5.0 tt0 -142.32 122.23 13.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.186 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -121.15 141.98 50.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.698 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 142.99 45.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.968 0.413 . . . . 0.0 111.483 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG11 ' HG2' ' A' ' 68' ' ' GLU . 6.7 t -130.56 144.7 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.609 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HG3' HG23 ' A' ' 97' ' ' THR . 5.3 mt-10 -125.77 138.84 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.696 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -140.0 143.71 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.419 ' OG1' ' CE1' ' A' ' 95' ' ' HIS . 1.2 m -122.34 112.86 18.62 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.005 0.431 . . . . 0.0 111.234 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.552 ' HB2' HD23 ' A' ' 61' ' ' LEU . 1.9 m -122.64 163.98 19.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.418 178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -140.02 35.13 1.94 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' VAL . 3.2 t0 -166.17 13.9 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.203 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 65.48 -66.09 0.15 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 111.255 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' ASP . 29.0 m -54.13 -39.12 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.55 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 m -63.01 -37.53 87.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.47 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -54.02 -35.93 62.45 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.951 HD11 ' CD1' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -62.4 -47.34 84.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.352 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -53.19 -33.56 53.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.853 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.61 -14.31 26.63 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.548 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.933 ' CZ2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -72.35 -55.76 6.57 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.702 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.658 HD12 ' CH2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -75.06 -43.54 52.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.682 -178.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -50.24 -35.0 24.97 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HG2' HG11 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -67.4 -44.77 78.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.829 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.605 HD21 ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -66.62 -31.86 72.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.899 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -52.37 59.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.36 -43.86 66.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.906 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.3 mt -61.92 -34.24 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.369 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.511 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -50.0 -53.04 29.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.25 -179.338 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -32.28 63.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.749 0.309 . . . . 0.0 110.421 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.2 m -64.06 -18.86 64.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.613 ' O ' HG23 ' A' ' 78' ' ' ILE . 2.0 mt-10 -165.66 71.99 0.16 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.706 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.673 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 1.5 t80 -57.88 92.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.287 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.729 HG21 ' CB ' ' A' ' 103' ' ' GLU . 30.0 pt -112.33 137.18 46.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.267 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.678 ' N ' HD13 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -65.03 -74.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.299 -179.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.449 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 4.1 t80 -121.12 145.08 48.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.008 0.433 . . . . 0.0 110.714 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.61 ' HB3' HD12 ' A' ' 78' ' ' ILE . 73.9 p -154.11 163.11 40.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.072 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.79 144.69 31.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.152 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.794 ' CD1' HD12 ' A' ' 31' ' ' LEU . 55.6 m-85 -119.98 122.96 42.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.427 0.632 . . . . 0.0 112.38 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.553 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -131.79 131.82 43.25 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.023 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.8 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -131.01 149.29 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.711 0.767 . . . . 0.0 112.361 -178.11 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.678 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -130.34 118.97 22.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.444 -178.351 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.549 HD11 ' CD2' ' A' ' 26' ' ' PHE . 15.4 mt -110.82 125.26 68.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.674 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -132.87 122.21 24.04 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.876 0.37 . . . . 0.0 111.438 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.95 114.66 18.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.3 mmtp -74.81 -169.78 0.95 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.944 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -58.25 7.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 90' ' ' LYS . 6.7 p-10 173.62 -36.79 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 109.955 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.09 -162.23 35.48 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.966 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 95' ' ' HIS . 0.2 OUTLIER -135.98 143.15 44.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.601 0.239 . . . . 0.0 110.757 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.482 ' N ' HD12 ' A' ' 94' ' ' LEU . 6.8 t60 -127.35 143.78 51.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 111.641 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 53' ' ' ILE . 10.3 tt -122.5 135.64 54.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.678 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.07 119.55 28.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.186 0.517 . . . . 0.0 109.651 178.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -122.24 148.55 17.06 Favored Glycine 0 C--N 1.313 -0.702 0 CA-C-N 115.784 -0.644 . . . . 0.0 113.821 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 3.4 m -127.85 142.27 51.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.479 0.18 . . . . 0.0 111.229 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.49 ' HB3' ' CD ' ' A' ' 49' ' ' ARG . . . -134.56 131.32 37.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.048 0.451 . . . . 0.0 111.143 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.678 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -132.0 155.24 48.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.323 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.421 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 95.14 37.92 4.99 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.061 -1.066 . . . . 0.0 111.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.729 ' CB ' HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -97.56 119.29 35.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.172 -0.514 . . . . 0.0 111.034 -178.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 172.33 84.06 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.673 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 9.5 tt -72.6 122.36 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -106.77 143.2 35.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.99 123.79 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.646 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.26 31.93 8.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.131 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -59.02 157.19 10.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.95 140.16 1.48 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.396 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -90.51 135.86 33.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.296 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.57 179.12 6.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.172 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -89.54 126.87 35.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.577 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.21 144.2 49.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.506 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 138' ' ' LEU . 3.4 m -69.71 109.51 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.58 -19.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.038 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -150.07 107.21 3.59 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.643 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.976 HG23 HD13 ' A' ' 138' ' ' LEU . 3.0 p -81.21 107.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.982 0.42 . . . . 0.0 110.118 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 121' ' ' HIS . 59.2 m -116.38 122.16 44.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.473 ' HB2' ' HG2' ' A' ' 123' ' ' MET . 0.1 OUTLIER -66.23 69.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.488 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 0.8 OUTLIER -76.92 -43.56 35.03 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.045 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.466 ' O ' ' HG3' ' A' ' 123' ' ' MET . 10.2 mmt -99.25 -67.49 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 32.31 71.95 0.08 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.296 179.265 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 3.5 mt-10 -163.64 134.51 4.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.065 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.951 ' CD1' HD11 ' A' ' 62' ' ' LEU . 59.3 mt -103.82 116.59 47.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 111.124 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -103.8 136.71 42.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.292 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.8 OUTLIER -94.3 122.77 37.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.932 0.396 . . . . 0.0 111.389 -179.211 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -124.17 125.4 44.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.667 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 58.6 21.02 8.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.994 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 90.98 0.7 74.11 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.853 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 11.9 mt -100.85 145.15 28.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.693 0.282 . . . . 0.0 110.268 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.65 HG21 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -102.45 136.11 36.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.874 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 10.1 mtmt -134.65 137.34 43.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.892 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.802 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . . . -108.83 148.01 31.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.55 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.678 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -139.26 124.91 19.47 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -178.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.987 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 16.4 t -129.84 113.6 27.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.414 176.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.712 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 1.1 mt -95.58 113.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.401 0.619 . . . . 0.0 110.189 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.976 HD13 HG23 ' A' ' 118' ' ' VAL . 5.6 mt -109.9 152.98 25.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.836 -178.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.471 ' HA ' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -81.27 142.12 33.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.242 0.544 . . . . 0.0 111.438 -177.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 11' ' ' ALA . 7.0 tp . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.2 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.836 0.351 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -146.17 -47.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . 92.68 -10.69 73.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.951 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.43 140.08 34.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 111.004 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -144.51 136.14 25.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.482 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 34.7 p90 -114.49 147.5 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.432 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.5 ' CZ ' ' O ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -108.86 140.19 42.65 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 179.312 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.29 103.52 0.15 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.018 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.08 HG21 ' O ' ' A' ' 12' ' ' ASP . 1.9 p -107.14 153.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.731 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.683 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 28.1 m -106.99 58.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.241 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 10' ' ' THR . . . 147.82 -59.13 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 1.08 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.01 124.64 43.01 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.746 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.712 ' O ' HD22 ' A' ' 138' ' ' LEU . . . -105.82 121.79 44.78 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.659 ' HA2' ' HA ' ' A' ' 137' ' ' ILE . . . -112.37 129.58 9.1 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.761 ' HD2' ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -105.69 150.19 25.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.091 0.472 . . . . 0.0 111.154 -177.757 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.498 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -110.81 125.04 53.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.393 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -121.13 144.97 48.28 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.473 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.762 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -113.29 144.25 43.04 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.794 -177.334 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' C ' ' CD2' ' A' ' 20' ' ' HIS . . . -91.25 -167.31 40.98 Favored Glycine 0 CA--C 1.474 -2.531 0 CA-C-O 122.947 1.304 . . . . 0.0 113.297 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -143.96 4.02 1.26 Allowed 'General case' 0 N--CA 1.41 -2.468 0 CA-C-N 111.71 -2.245 . . . . 0.0 109.745 -179.183 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -179.35 29.72 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.923 ' O ' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER 73.23 -57.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.179 -179.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.764 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -58.7 -52.51 65.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.186 0.517 . . . . 0.0 109.714 178.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 53.3 mm-40 -53.3 -24.23 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.778 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.923 HG12 ' O ' ' A' ' 22' ' ' LEU . 2.5 p -73.96 -32.32 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.723 ' CE1' ' HB ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -71.86 -40.95 68.64 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.801 0.334 . . . . 0.0 110.865 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.625 ' HB3' HG12 ' A' ' 85' ' ' VAL . 2.5 pp20? -62.79 -32.17 73.29 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 109.904 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -27.17 68.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.053 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.745 ' HB3' ' NE1' ' A' ' 65' ' ' TRP . . . -52.33 -43.4 64.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.97 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB1' ' CZ ' ' A' ' 83' ' ' PHE . . . -72.6 -32.98 66.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.977 0.418 . . . . 0.0 110.061 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HG ' ' CE1' ' A' ' 80' ' ' PHE . 5.5 tt -59.25 -23.83 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.765 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.761 ' HB1' ' HD2' ' A' ' 15' ' ' PHE . . . -68.76 -49.19 60.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.441 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.598 ' HE1' HG22 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -51.68 -28.53 15.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.164 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CD2' ' CD2' ' A' ' 80' ' ' PHE . 3.0 t80 -51.71 -38.43 55.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.501 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -53.29 -30.37 38.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.762 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.84 HG13 ' CB ' ' A' ' 113' ' ' ASP . 23.9 t -93.87 -53.96 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.394 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 38' ' ' THR . 22.0 mmt -50.08 -55.98 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.826 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 37' ' ' MET . 0.7 OUTLIER 49.87 177.06 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.974 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 t70 64.82 8.72 4.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.615 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.882 HG22 ' CB ' ' A' ' 79' ' ' LEU . 1.1 p -72.9 -21.5 60.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.507 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -47.06 -22.19 0.32 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.666 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -29.76 48.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.692 HG11 HD11 ' A' ' 105' ' ' ILE . 3.6 m -97.34 122.96 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.87 -73.27 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.059 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB1' ' SD ' ' A' ' 101' ' ' MET . . . -145.88 84.8 1.67 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.01 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -98.12 -38.55 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.672 ' O ' ' HA ' ' A' ' 101' ' ' MET . 9.5 mm-40 -136.9 170.13 16.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.738 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -142.09 125.93 17.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.447 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.65 132.95 48.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 111.034 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 142.87 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.57 147.22 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 111.48 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -125.84 144.05 50.81 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.596 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -139.55 150.95 22.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.647 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 t -121.75 114.48 21.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.674 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -120.65 164.57 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.601 179.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -143.43 31.48 1.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.734 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' VAL . 23.3 t70 -176.02 18.41 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 66.36 -60.2 0.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.374 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.748 HG23 ' CB ' ' A' ' 124' ' ' GLU . 5.8 p -53.7 -44.84 59.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.833 0.349 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.457 ' N ' HG13 ' A' ' 59' ' ' VAL . 56.4 m -61.73 -30.98 71.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.363 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -53.96 -40.47 66.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.509 ' CD2' ' HB1' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -72.09 -47.39 51.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.555 179.461 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.14 -39.5 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.14 -15.81 54.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.291 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.745 ' NE1' ' HB3' ' A' ' 29' ' ' ALA . 1.7 t-105 -72.77 -53.59 11.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 111.08 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.935 ' CD1' HG11 ' A' ' 136' ' ' VAL . 1.4 mt -71.68 -34.62 69.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.748 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -34.07 69.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -52.43 29.54 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.643 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -31.09 67.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.632 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.82 -52.25 57.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -70.48 -44.85 66.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.045 0.45 . . . . 0.0 110.632 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.1 mt -61.01 -33.67 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.118 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -49.54 -49.72 45.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.549 -179.11 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 77' ' ' PHE . 10.4 t0 -73.04 -35.12 66.67 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 m -64.17 -18.29 64.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 78' ' ' ILE . 4.6 pt-20 -164.9 77.13 0.3 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.484 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.759 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 55.6 m-85 -55.89 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.911 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 76' ' ' GLU . 27.7 pt -111.83 147.91 15.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.105 0.478 . . . . 0.0 111.182 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.882 ' CB ' HG22 ' A' ' 40' ' ' THR . 7.6 mt -79.4 -81.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.566 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.805 ' HB3' HG21 ' A' ' 40' ' ' THR . 16.1 t80 -136.78 142.9 42.97 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.107 0.48 . . . . 0.0 110.471 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.517 ' HB2' ' O ' ' A' ' 101' ' ' MET . 30.1 p -154.23 163.33 40.3 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.104 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -79.65 122.24 26.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.544 ' CB ' ' HB2' ' A' ' 27' ' ' GLU . 88.7 m-85 -104.58 121.67 44.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.586 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.588 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.3 OUTLIER -102.16 136.14 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.532 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.764 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -132.96 149.73 32.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.659 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -129.98 139.11 51.11 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 113.459 -1.7 . . . . 0.0 110.077 -179.256 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.687 HG13 ' HB3' ' A' ' 23' ' ' GLU . 56.3 mt -128.34 124.53 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.328 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -132.95 127.24 33.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.33 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -77.08 115.25 16.71 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.2 mmtt -74.75 -169.19 0.83 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.431 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.42 2.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 169.4 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.339 0.12 0 CA-C-O 120.804 0.335 . . . . 0.0 110.808 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.98 -145.87 18.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.349 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -135.92 136.58 40.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.463 -0.368 . . . . 0.0 111.099 -178.564 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -127.86 140.5 51.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.527 179.025 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.686 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 8.6 tt -127.94 141.65 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.728 0.299 . . . . 0.0 111.447 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.659 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -125.79 119.21 27.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.09 0.472 . . . . 0.0 109.893 178.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.588 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.96 148.36 17.0 Favored Glycine 0 C--N 1.315 -0.602 0 C-N-CA 120.817 -0.706 . . . . 0.0 114.058 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.401 ' CB ' ' HE3' ' A' ' 84' ' ' LYS . 9.6 m -126.08 141.27 52.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.577 0.227 . . . . 0.0 110.497 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -133.82 132.71 40.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.79 0.328 . . . . 0.0 111.335 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.672 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.62 148.05 52.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.473 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 107.99 48.43 0.89 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.58 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.508 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.1 tt0 -104.69 115.98 31.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.812 0.339 . . . . 0.0 111.408 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 176.33 34.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.097 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.759 ' HB ' ' O ' ' A' ' 77' ' ' PHE . 21.5 mm -95.74 138.32 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.938 0.399 . . . . 0.0 111.751 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 169.75 12.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.376 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -62.86 131.4 48.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.146 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.51 47.74 43.9 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.784 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -83.5 104.48 13.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 111.323 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.95 98.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.579 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -108.88 124.07 50.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.732 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -112.53 -32.66 6.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.169 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.84 ' CB ' HG13 ' A' ' 36' ' ' VAL . 3.9 m-20 -119.21 159.21 24.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.659 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -116.72 104.98 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.404 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.592 ' O ' HG13 ' A' ' 115' ' ' VAL . 12.1 p -111.33 109.71 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.251 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.6 mttp -59.05 -26.49 64.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.502 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.86 -176.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.004 0.431 . . . . 0.0 111.541 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.855 HG13 HD12 ' A' ' 138' ' ' LEU . 19.7 t -113.48 108.96 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.873 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 19.2 m -112.38 104.58 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.453 ' CB ' ' HG3' ' A' ' 123' ' ' MET . 21.9 p90 -37.29 101.9 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.888 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.697 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 0.8 OUTLIER -55.51 -34.33 64.55 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 122.498 1.142 . . . . 0.0 108.197 178.447 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.423 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 176.92 -32.04 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 112.805 -1.998 . . . . 0.0 107.941 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.456 ' SD ' HG22 ' A' ' 136' ' ' VAL . 1.1 mmm 52.13 59.1 4.77 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.753 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.748 ' CB ' HG23 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -133.93 134.79 43.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.214 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.803 HG21 HG11 ' A' ' 25' ' ' VAL . 4.3 mt -96.25 112.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.082 0.467 . . . . 0.0 110.703 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.631 HD11 ' HE3' ' A' ' 133' ' ' LYS . 2.9 pp -103.51 136.53 43.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.137 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.602 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 10.8 p-10 -100.89 121.99 42.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.112 0.482 . . . . 0.0 111.774 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -124.97 128.65 48.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.331 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 t0 59.21 20.44 8.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 89.36 0.67 79.53 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.6 OUTLIER -96.92 146.18 25.19 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.555 0.342 . . . . 0.0 110.1 179.53 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.901 HG21 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.3 136.36 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.289 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.648 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 3.2 mtpp -134.49 136.76 43.38 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.783 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.509 ' HB1' ' CD2' ' A' ' 62' ' ' LEU . . . -126.34 142.88 51.36 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.566 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.466 ' HD3' ' CD2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -126.15 124.58 40.84 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -178.577 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.935 HG11 ' CD1' ' A' ' 66' ' ' LEU . 45.8 t -129.79 117.03 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.407 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.899 ' O ' HD13 ' A' ' 138' ' ' LEU . 1.0 OUTLIER -86.33 141.43 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.025 0.93 . . . . 0.0 111.851 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.899 HD13 ' O ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -126.9 151.63 48.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.52 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 115' ' ' VAL . 20.5 t0 -82.09 138.62 34.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.335 0.588 . . . . 0.0 112.121 -177.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.522 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.822 0.344 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.2 mttp 60.94 35.0 19.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.949 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . 81.27 8.12 87.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.914 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.564 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.02 139.88 34.0 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.832 0.316 . . . . 0.0 110.921 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.18 153.72 40.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.118 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.46 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 34.3 p90 -114.64 147.32 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.349 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -109.05 169.25 8.8 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.453 179.31 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -66.06 92.73 0.18 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.136 0.493 . . . . 0.0 112.271 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.925 ' CG1' ' O ' ' A' ' 12' ' ' ASP . 3.5 p -107.22 152.3 8.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.322 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.62 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 76.7 m -137.45 98.89 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.544 178.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.653 ' O ' ' N ' ' A' ' 140' ' ' LEU . . . 115.29 -42.15 0.01 OUTLIER 'General case' 0 C--N 1.347 0.499 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.925 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -124.68 171.51 10.02 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.718 ' HA ' HG11 ' A' ' 9' ' ' VAL . . . -146.62 120.84 9.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.104 0.478 . . . . 0.0 111.232 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.882 ' HA3' HG12 ' A' ' 137' ' ' ILE . . . -122.7 129.86 7.66 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.685 ' CZ ' HG22 ' A' ' 36' ' ' VAL . 1.5 m-85 -107.93 152.22 24.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.033 0.444 . . . . 0.0 110.834 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.564 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -111.36 124.89 53.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.399 179.216 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.632 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -127.52 157.4 40.23 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.833 ' HB3' HD11 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -113.36 159.43 19.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.179 -178.192 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.687 ' CA ' HG13 ' A' ' 25' ' ' VAL . . . -109.07 -171.82 20.9 Favored Glycine 0 CA--C 1.489 -1.578 0 CA-C-O 122.426 1.014 . . . . 0.0 113.853 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -139.73 1.58 1.91 Allowed 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 112.671 -1.764 . . . . 0.0 109.736 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 0.9 OUTLIER 155.68 44.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.104 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.944 HD13 HG21 ' A' ' 132' ' ' ILE . 2.2 mm? 70.9 -57.81 0.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.461 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.547 ' HG2' HG22 ' A' ' 85' ' ' VAL . 13.0 tt0 -52.0 -31.71 30.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.436 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 1.6 tp10 -73.56 -47.6 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.687 HG13 ' CA ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -59.42 -50.71 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.737 ' HB2' HG21 ' A' ' 85' ' ' VAL . 22.3 m-85 -49.8 -38.38 34.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.223 0.535 . . . . 0.0 110.12 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.657 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -65.81 -41.68 91.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.867 179.173 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -27.6 64.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.854 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.06 -49.39 66.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.27 64.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -44.01 90.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -60.04 -42.86 95.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -71.71 -48.64 45.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.64 -33.43 75.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.92 -30.58 64.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.936 0.398 . . . . 0.0 110.606 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.741 HG12 ' HB3' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -85.09 -33.62 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.767 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mmm -79.94 -29.35 39.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.702 HG21 ' CD1' ' A' ' 79' ' ' LEU . 12.0 t -177.81 -164.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HB3' HD11 ' A' ' 42' ' ' LEU . 2.4 t70 -122.6 104.0 9.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.896 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.434 ' HA ' ' HB2' ' A' ' 80' ' ' PHE . 36.9 p -71.8 -21.35 61.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.391 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.9 t -40.45 -29.05 0.08 Allowed 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -113.43 61.18 0.65 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.964 0.411 . . . . 0.0 111.151 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.3 p -91.17 134.67 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -21.19 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.512 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.04 113.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.825 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -123.46 -47.94 1.96 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.257 0.551 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.738 ' O ' ' HA ' ' A' ' 101' ' ' MET . 1.0 OUTLIER -121.59 170.92 9.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.441 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -142.38 122.47 13.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.534 ' NH2' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -121.16 154.59 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.232 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -123.76 142.94 50.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 111.737 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.493 HG11 ' HG2' ' A' ' 68' ' ' GLU . 34.9 t -128.37 149.0 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.173 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.606 ' HG2' HG23 ' A' ' 97' ' ' THR . 0.7 OUTLIER -125.78 141.79 51.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.471 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.58 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.81 147.74 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.778 -179.28 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 82.8 p -121.84 114.4 20.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.243 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.752 ' HB3' HD22 ' A' ' 61' ' ' LEU . 3.1 t -121.01 163.33 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.871 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HG2' ' HA3' ' A' ' 93' ' ' GLY . 24.7 mt-10 -156.25 25.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.638 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -158.6 19.51 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.512 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 65.87 -66.89 0.15 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.499 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.1 m -54.17 -35.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.495 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 t -59.4 -41.6 89.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.123 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 55' ' ' SER . 0.0 OUTLIER -54.11 -47.57 71.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.783 0.325 . . . . 0.0 110.22 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.68 HD23 HD11 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -69.93 -47.58 61.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.307 179.241 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -56.85 -35.03 68.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.88 -17.2 23.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.561 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.555 ' CE3' HD11 ' A' ' 53' ' ' ILE . 5.8 t-105 -72.83 -52.93 12.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.637 0.256 . . . . 0.0 111.191 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.862 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.5 OUTLIER -69.19 -43.47 74.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.745 -179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.21 -33.52 41.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.216 0.532 . . . . 0.0 109.596 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HG2' HG11 ' A' ' 51' ' ' VAL . 1.1 tp10 -66.57 -35.58 80.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.483 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.823 HD23 HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -71.02 -31.83 68.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.494 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -48.54 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.505 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' O ' HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -70.52 -52.19 23.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.449 -179.346 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.823 HD11 HD23 ' A' ' 69' ' ' LEU . 2.4 pp -55.31 -33.94 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.572 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.682 ' N ' HD12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -49.74 -52.66 29.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.353 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -73.37 -36.6 66.12 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.53 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 71' ' ' PHE . 2.7 p -64.2 -18.22 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.643 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -161.66 76.79 0.52 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.874 178.467 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.432 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -58.8 96.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.139 179.339 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.79 HG21 ' HB2' ' A' ' 103' ' ' GLU . 1.1 pt -112.77 144.37 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.335 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.702 ' CD1' HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER -77.61 -71.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.539 -179.238 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 18.1 p90 -123.86 142.04 51.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.481 ' OG ' HD13 ' A' ' 78' ' ' ILE . 3.3 m -153.8 159.4 41.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.33 150.08 27.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.331 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -118.35 122.4 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.523 0.678 . . . . 0.0 111.994 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.473 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.19 115.51 15.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.384 178.289 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.737 HG21 ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -110.6 149.63 13.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.535 0.683 . . . . 0.0 112.108 -178.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.761 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 1.7 tttm -130.65 118.91 21.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.249 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.446 HD11 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -123.52 140.73 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 121.821 -0.55 . . . . 0.0 110.37 179.213 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -133.06 122.5 24.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.609 -178.657 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -83.0 113.77 20.8 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 93' ' ' GLY . 3.8 mmtp -92.73 -169.34 2.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.878 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.84 6.36 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.629 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER 172.15 -37.6 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.1 0.476 . . . . 0.0 110.175 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 90' ' ' LYS . . . -108.71 168.44 13.52 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.476 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.683 HD23 ' N ' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -136.28 136.4 39.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.44 0.62 . . . . 0.0 111.995 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.447 ' CE1' ' CB ' ' A' ' 88' ' ' ASP . 19.8 p-80 -105.49 143.5 33.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.625 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.761 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 8.2 tt -114.89 141.0 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 111.6 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.719 ' N ' HD23 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -125.05 119.18 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.688 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -117.12 148.3 18.84 Favored Glycine 0 C--N 1.315 -0.599 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.494 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 4.7 m -127.25 142.29 51.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.418 ' HB3' ' CG ' ' A' ' 49' ' ' ARG . . . -132.54 132.38 42.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.944 0.402 . . . . 0.0 111.271 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.738 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 5.3 mtt -131.08 155.63 46.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.597 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.79 51.05 4.17 Favored Glycine 0 CA--C 1.507 -0.408 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.79 ' HB2' HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -92.67 116.09 28.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.121 -0.539 . . . . 0.0 111.627 -178.183 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.79 113.88 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.651 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.502 HD13 HD23 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -88.27 138.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.916 0.389 . . . . 0.0 111.035 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 109' ' ' HIS . 0.0 OUTLIER -121.65 -172.75 2.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.646 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -93.6 113.45 25.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.444 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 47.86 42.1 21.54 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.236 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 106' ' ' LYS . 1.2 t-80 -83.58 110.22 18.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.771 0.32 . . . . 0.0 111.06 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 57.06 83.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.81 102.75 11.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -92.66 -58.11 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.472 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.741 ' HB3' HG12 ' A' ' 36' ' ' VAL . 42.0 t0 -124.91 159.16 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.326 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -110.14 103.36 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.02 0.438 . . . . 0.0 111.798 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.5 t -111.84 109.56 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.982 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 21.72 11.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.604 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -177.59 121.72 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.847 HG23 ' CD1' ' A' ' 138' ' ' LEU . 2.3 p -101.37 108.5 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.684 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.42 ' N ' HD22 ' A' ' 138' ' ' LEU . 5.6 t -114.13 127.6 55.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.298 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.414 ' HB2' ' HG3' ' A' ' 123' ' ' MET . 0.1 OUTLIER -69.58 67.04 0.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.547 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -60.62 -43.77 97.08 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.187 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.63 -65.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 110.752 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.597 ' HA ' HG22 ' A' ' 136' ' ' VAL . 0.3 OUTLIER 45.33 39.55 4.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.093 0.473 . . . . 0.0 110.705 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -115.36 143.02 45.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.68 HD11 HD23 ' A' ' 62' ' ' LEU . 62.5 mt -111.34 113.07 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.435 . . . . 0.0 111.599 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.87 136.52 45.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.78 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.6 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 10.4 t70 -108.06 122.13 46.24 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.622 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -124.84 131.24 53.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.724 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 57.58 21.27 6.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 111.217 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 89.63 0.5 78.89 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.833 HD11 ' HB3' ' A' ' 18' ' ' TYR . 3.3 tm? -91.88 139.15 30.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.944 HG21 HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -101.16 122.97 53.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.554 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 26.5 mttt -116.76 136.92 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.703 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -118.32 141.48 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.494 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 123' ' ' MET . 0.0 OUTLIER -138.48 119.16 14.03 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.862 HG11 ' CD1' ' A' ' 66' ' ' LEU . 72.8 t -130.74 114.71 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.437 176.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.882 HG12 ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -99.23 120.99 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.785 0.802 . . . . 0.0 109.95 177.481 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.847 ' CD1' HG23 ' A' ' 118' ' ' VAL . 6.2 mt -106.82 153.21 22.81 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.418 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.7 142.15 34.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.503 0.668 . . . . 0.0 111.688 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.653 ' N ' ' O ' ' A' ' 11' ' ' ALA . 4.8 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.059 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.752 0.31 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.45 -43.44 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . 77.29 2.29 78.53 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.955 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -99.17 139.96 34.03 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.961 0.41 . . . . 0.0 111.146 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -147.04 128.57 15.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 38.4 p90 -94.77 147.71 23.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.901 0.381 . . . . 0.0 111.849 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CE1' ' CA ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -108.6 169.2 8.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.672 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -100.06 99.32 10.03 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.3 t -106.71 151.34 8.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.487 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.641 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.1 m -96.1 103.8 15.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.328 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.641 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 112.71 -45.15 0.0 OUTLIER 'General case' 0 C--N 1.346 0.428 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.806 ' HB2' HG22 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.65 169.62 11.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.447 179.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.607 ' C ' HG23 ' A' ' 137' ' ' ILE . . . -147.62 121.27 9.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.794 ' N ' HG23 ' A' ' 137' ' ' ILE . . . -115.52 143.05 17.96 Favored Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.78 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.746 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -109.58 141.96 41.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.88 0.371 . . . . 0.0 110.116 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -111.77 125.15 53.68 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.163 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -124.69 162.73 23.56 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.415 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -115.08 159.6 20.64 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.388 -178.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.77 ' N ' HG13 ' A' ' 25' ' ' VAL . . . -107.43 -151.8 17.48 Favored Glycine 0 CA--C 1.491 -1.422 0 CA-C-N 114.77 -1.104 . . . . 0.0 113.263 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 178.65 -24.96 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 113.268 -1.466 . . . . 0.0 109.886 -178.599 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' OD2' ' CD2' ' A' ' 20' ' ' HIS . 0.7 OUTLIER -165.27 29.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.472 179.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' A' ' 132' ' ' ILE . 1.7 mt 80.27 -51.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.199 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.744 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -67.0 -31.92 72.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HG3' ' HB3' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -61.36 -42.56 98.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.829 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.77 HG13 ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -73.74 -46.49 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.161 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.603 ' CE1' HD13 ' A' ' 125' ' ' ILE . 30.9 m-85 -52.36 -54.54 30.44 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.666 ' CG ' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -63.43 -33.14 74.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.911 0.386 . . . . 0.0 110.727 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.537 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 3.9 m-20 -63.14 -33.13 74.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.44 73.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 69' ' ' LEU . . . -65.78 -40.2 91.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -34.39 64.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.967 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.746 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -59.4 -50.52 73.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.668 ' HB2' HD21 ' A' ' 66' ' ' LEU . 10.5 tpt -71.84 -30.58 65.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 2.1 m-85 -64.23 -52.15 60.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.65 -30.87 45.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.634 HG21 ' HZ ' ' A' ' 15' ' ' PHE . 20.2 t -81.57 -35.45 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.929 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.481 ' C ' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -54.63 -35.73 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.955 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.608 HG21 HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER 176.7 -89.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.622 ' O ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER 175.39 107.91 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.736 0.303 . . . . 0.0 110.893 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.622 ' HB ' ' HA ' ' A' ' 80' ' ' PHE . 2.9 p -72.12 -21.44 61.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.336 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.779 ' C ' HD13 ' A' ' 42' ' ' LEU . 7.1 p -64.81 63.29 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.01 HD23 HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER 177.89 -17.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.553 179.198 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.01 HG23 HD23 ' A' ' 42' ' ' LEU . 51.2 t -110.09 134.78 51.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.752 0.311 . . . . 0.0 110.305 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 1.1 mt-10 -81.68 -82.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.409 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.763 ' HB1' ' SD ' ' A' ' 101' ' ' MET . . . 175.75 105.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.456 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -104.63 -32.17 9.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.967 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.761 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.3 mm-40 -135.73 151.98 50.69 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.11 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 101' ' ' MET . 18.7 tt0 -132.41 142.07 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 111.212 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -139.15 156.3 47.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.708 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.1 142.92 45.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.049 0.452 . . . . 0.0 111.142 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.404 HG21 HD13 ' A' ' 72' ' ' ILE . 9.6 t -127.45 145.41 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.65 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -125.94 144.6 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.078 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.796 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -138.55 151.83 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.796 -179.01 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.3 m -121.83 114.87 21.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.692 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.573 ' HB3' HD23 ' A' ' 61' ' ' LEU . 16.0 t -120.53 163.74 17.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.631 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.567 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.5 mt-10 -155.01 29.74 0.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.373 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' VAL . 8.3 t70 -174.94 24.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.774 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 63.83 -67.86 0.1 Allowed 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.866 0.365 . . . . 0.0 111.818 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' ASP . 9.0 p -54.1 -35.72 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.627 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -42.85 99.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.24 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.846 HD11 HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -54.22 -53.38 54.28 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.688 0.28 . . . . 0.0 110.359 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.73 HD23 HG23 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -58.83 -38.46 78.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.069 0.461 . . . . 0.0 110.344 179.252 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.421 ' CE1' ' CG ' ' A' ' 120' ' ' PHE . 4.8 t80 -63.48 -35.07 79.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.004 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.91 -11.8 24.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.665 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.523 ' HA ' ' CE3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -72.83 -52.85 13.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.957 0.408 . . . . 0.0 111.0 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.849 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.5 OUTLIER -66.15 -47.85 72.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -51.95 -33.3 37.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.511 ' C ' HD12 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -63.97 -40.49 96.53 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.246 178.536 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -61.46 -32.04 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.101 179.137 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.002 HD11 HG11 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -59.46 -52.54 65.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.883 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.39 -45.87 61.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.511 HD12 ' C ' ' A' ' 68' ' ' GLU . 13.6 mt -59.01 -34.94 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 77' ' ' PHE . 7.5 m170 -56.72 -53.29 59.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.942 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -73.79 -32.9 63.99 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.761 0.315 . . . . 0.0 110.292 179.24 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.1 m -64.07 -18.34 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -165.06 72.01 0.18 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.977 178.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' A' ' 74' ' ' ASP . 73.0 m-85 -45.31 91.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.745 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.915 HG22 ' HA ' ' A' ' 103' ' ' GLU . 33.9 pt -112.22 134.81 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.322 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.617 ' O ' HG22 ' A' ' 40' ' ' THR . 17.2 mt -83.01 -41.35 18.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.044 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.622 ' HA ' ' HB ' ' A' ' 40' ' ' THR . 3.6 t80 -119.87 145.84 46.31 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.689 ' OG ' ' HB1' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -154.3 130.76 10.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.237 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -82.19 150.0 27.62 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.549 ' HB2' ' HB3' ' A' ' 27' ' ' GLU . 1.4 p90 -106.3 119.73 40.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 122.025 0.917 . . . . 0.0 113.162 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.63 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -134.96 115.15 13.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.728 -1.578 . . . . 0.0 107.112 176.571 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.744 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -124.46 149.23 28.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.909 0.861 . . . . 0.0 112.733 -178.468 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.777 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -130.06 118.77 22.04 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.849 -178.614 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.568 HD12 ' CE2' ' A' ' 26' ' ' PHE . 3.2 tt -128.42 142.69 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 121.939 -0.476 . . . . 0.0 110.999 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 31.9 t70 -124.34 120.62 32.67 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.59 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -105.6 112.07 25.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.725 0.774 . . . . 0.0 110.912 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.67 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -133.21 -167.06 1.86 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.299 -1.318 . . . . 0.0 108.43 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' LYS . 4.2 t70 -19.22 -37.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER 164.58 -33.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.051 0.453 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.508 ' O ' ' CE ' ' A' ' 90' ' ' LYS . . . -75.43 78.54 1.13 Allowed Glycine 0 C--O 1.226 -0.352 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.916 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -93.13 140.4 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.986 0.422 . . . . 0.0 111.33 -179.062 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.417 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 6.5 p80 -125.94 143.59 51.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.373 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.846 HD13 HD11 ' A' ' 61' ' ' LEU . 8.0 tt -110.73 141.36 44.12 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.702 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.596 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.91 119.48 28.9 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.63 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -124.94 148.82 16.85 Favored Glycine 0 C--N 1.313 -0.717 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.935 -178.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.6 m -118.86 142.72 47.48 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.751 0.31 . . . . 0.0 111.81 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.689 ' HB1' ' OG ' ' A' ' 81' ' ' SER . . . -137.02 132.51 34.35 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.794 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.763 ' SD ' ' HB1' ' A' ' 45' ' ' ALA . 4.0 ttt -130.97 153.65 48.98 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.998 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.456 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 106.94 58.21 0.6 Allowed Glycine 0 C--N 1.338 0.674 0 C-N-CA 119.844 -1.17 . . . . 0.0 112.581 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.915 ' HA ' HG22 ' A' ' 78' ' ' ILE . 1.3 tt0 -103.21 116.04 31.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.039 0.447 . . . . 0.0 110.983 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 177.88 69.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.418 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.74 HD13 ' N ' ' A' ' 106' ' ' LYS . 0.1 OUTLIER -72.86 127.86 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.287 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.74 ' N ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -106.2 140.52 39.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.5 104.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.274 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.11 30.24 55.48 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.664 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -79.17 115.98 19.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 61.18 113.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -108.65 129.17 55.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -158.02 -176.22 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -89.63 127.54 35.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.468 ' HA ' HG12 ' A' ' 36' ' ' VAL . 21.6 tt0 -121.61 144.0 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 115' ' ' VAL . 29.5 m -70.04 109.41 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.398 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -55.61 -20.9 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.791 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -141.16 125.33 17.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.934 0.397 . . . . 0.0 111.909 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.002 HG11 HD11 ' A' ' 70' ' ' LEU . 7.3 p -98.79 107.91 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.258 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 137' ' ' ILE . 94.0 m -116.13 129.84 56.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 35.6 p90 -69.53 69.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.544 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -59.32 -43.79 92.66 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.689 -178.5 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -64.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.633 0.254 . . . . 0.0 110.477 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.681 ' HE1' ' HB3' ' A' ' 66' ' ' LEU . 1.4 mtt 44.81 48.98 9.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.066 0.46 . . . . 0.0 110.671 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -128.59 146.26 50.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.588 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.73 HG23 HD23 ' A' ' 62' ' ' LEU . 2.6 pt -111.18 112.94 42.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.022 0.439 . . . . 0.0 111.488 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.641 ' H ' HD13 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -110.76 151.37 27.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.817 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 2.0 p30 -110.78 121.68 45.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.275 0.56 . . . . 0.0 112.318 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 131' ' ' LEU . 18.0 tt0 -125.24 138.3 54.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.81 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 59.61 19.62 8.2 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.119 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 85.26 0.61 88.54 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -105.62 145.67 30.7 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -100.27 143.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.677 0.275 . . . . 0.0 110.468 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -133.25 137.07 45.93 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.027 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.596 ' HB1' HD21 ' A' ' 62' ' ' LEU . . . -110.79 138.9 46.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.668 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -134.95 120.13 18.85 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.849 HG11 ' CD1' ' A' ' 66' ' ' LEU . 25.1 t -130.07 114.77 30.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.857 177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.861 ' C ' HD23 ' A' ' 138' ' ' LEU . 1.0 OUTLIER -97.96 135.55 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 CA-C-O 121.443 0.64 . . . . 0.0 110.071 177.671 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.992 HD13 HG23 ' A' ' 118' ' ' VAL . 5.3 mt -123.29 152.8 41.03 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.497 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.21 142.37 33.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.387 0.613 . . . . 0.0 112.075 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.547 HD23 ' CA ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.37 -1.287 . . . . 0.0 112.5 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mtt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.794 0.33 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -140.25 -42.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.721 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . 86.13 -11.01 63.97 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.906 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.665 ' CD2' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -142.27 139.66 31.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 117.166 0.483 . . . . 0.0 110.766 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -148.08 153.56 39.06 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.851 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -110.01 147.32 33.74 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.632 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -120.44 144.74 47.79 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -178.094 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 31.84 27.17 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.98 HG21 ' O ' ' A' ' 12' ' ' ASP . 8.0 p -106.38 150.56 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 C-N-CA 119.896 -0.721 . . . . 0.0 112.676 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 9' ' ' VAL . 6.5 m -58.44 -36.9 74.38 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.259 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' ' 9' ' ' VAL . . . -159.72 -43.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.499 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.98 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -125.94 119.98 29.18 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -179.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.958 ' HB2' ' HB ' ' A' ' 9' ' ' VAL . . . -150.51 165.97 31.62 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.506 -1.224 . . . . 0.0 110.487 176.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.953 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -43.51 131.56 6.05 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 119.629 -1.272 . . . . 0.0 110.027 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.549 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 1.3 m-85 -105.29 152.08 23.34 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.691 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.631 ' HE1' HD21 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -109.36 124.16 50.51 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.721 ' HA ' ' O ' ' A' ' 3' ' ' GLY . . . -121.0 163.69 17.9 Favored 'General case' 0 CA--C 1.491 -1.326 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.378 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.443 ' CD2' ' CG ' ' A' ' 133' ' ' LYS . 7.5 m-85 -134.31 154.39 51.34 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.341 -177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.477 ' HA3' HG12 ' A' ' 132' ' ' ILE . . . -114.64 -141.72 7.68 Favored Glycine 0 CA--C 1.487 -1.695 0 CA-C-O 122.449 1.027 . . . . 0.0 113.632 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.483 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 175.12 -29.23 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 112.716 -1.742 . . . . 0.0 108.882 -177.621 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 7.8 t70 -150.37 33.04 0.64 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.452 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.736 ' H ' HD11 ' A' ' 132' ' ' ILE . 1.0 OUTLIER 74.49 -58.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.957 -179.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 3.3 mt-10 -58.12 -31.17 66.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.04 0.447 . . . . 0.0 109.978 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' A' ' 20' ' ' HIS . 3.4 tp10 -64.79 -47.36 78.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.395 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 22' ' ' LEU . 9.3 p -66.57 -38.88 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.68 ' CZ ' HD22 ' A' ' 62' ' ' LEU . 21.8 m-85 -65.82 -43.72 87.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.825 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.567 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -55.21 -38.71 68.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.356 179.401 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.57 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 30.3 m-20 -70.2 -26.96 64.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.21 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.979 ' HB1' ' CE2' ' A' ' 65' ' ' TRP . . . -64.39 -35.14 79.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.568 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.702 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -73.3 -22.56 60.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.896 0.379 . . . . 0.0 110.765 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.749 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -73.88 -32.51 63.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.613 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -54.03 -52.28 61.33 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.11 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.686 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 2.3 m-85 -71.92 -39.48 69.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.518 ' HB2' HD13 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -53.38 -33.01 52.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.002 0.43 . . . . 0.0 110.475 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 114' ' ' GLU . 21.9 t -73.0 -30.57 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.332 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.59 ' O ' HG22 ' A' ' 38' ' ' THR . 5.3 mmm -75.27 -33.34 61.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.534 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.781 HG21 ' CD ' ' A' ' 112' ' ' ARG . 5.4 t 48.53 -174.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.625 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 38' ' ' THR . 35.8 t0 81.79 -15.09 0.74 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.943 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -72.08 -21.72 61.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.144 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 t -69.06 -2.97 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.797 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -124.32 15.48 9.0 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.688 0.28 . . . . 0.0 111.38 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.564 ' HB ' ' CB ' ' A' ' 80' ' ' PHE . 59.5 t -119.02 135.04 60.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.062 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 4.1 mt-10 -78.87 -80.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.603 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.743 ' HB1' ' SD ' ' A' ' 101' ' ' MET . . . 175.13 104.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.544 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -87.47 -56.33 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.79 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.817 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.3 mm-40 -131.17 142.12 50.17 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 101' ' ' MET . 25.6 tt0 -120.36 122.47 40.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.951 0.405 . . . . 0.0 111.192 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -122.38 144.53 48.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.492 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -102.54 142.03 34.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.04 0.448 . . . . 0.0 110.95 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.546 HG11 ' HG2' ' A' ' 68' ' ' GLU . 21.5 t -119.47 146.87 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.576 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.524 ' HG3' HG23 ' A' ' 97' ' ' THR . 0.1 OUTLIER -126.44 143.94 51.01 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.009 HD12 HD13 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -139.91 146.12 25.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.014 -178.736 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.41 114.08 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.258 0.551 . . . . 0.0 110.632 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.488 ' HB3' HD12 ' A' ' 61' ' ' LEU . 41.5 t -121.02 164.29 16.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.784 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -152.4 54.0 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 111.046 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.9 t0 -178.86 10.79 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 63.92 -69.88 0.08 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.705 0.288 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 57' ' ' ASP . 29.5 m -54.43 -43.25 62.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.765 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 59' ' ' VAL . 33.1 t -63.81 -34.54 78.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.252 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.938 HD12 ' HB3' ' A' ' 94' ' ' LEU . 1.9 tt -53.93 -34.66 60.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.756 ' O ' ' HE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -64.67 -49.38 71.22 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.492 178.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -54.22 -34.69 61.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.27 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.456 ' HB3' HG21 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -79.09 -9.56 59.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.158 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.979 ' CE2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -73.04 -54.42 8.6 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.449 -179.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.853 HD12 ' CH2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -73.85 -43.81 57.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.769 -178.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -33.05 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.143 0.497 . . . . 0.0 109.728 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.546 ' HG2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -69.13 -40.2 78.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.65 178.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.702 HD21 ' HB1' ' A' ' 30' ' ' ALA . 8.1 mp -72.03 -32.14 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.482 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -52.61 53.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.477 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -50.4 32.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.563 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 68' ' ' GLU . 2.7 tt -53.74 -34.33 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.897 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -53.02 30.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.076 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -73.63 -33.63 64.62 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 120.775 0.322 . . . . 0.0 110.139 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -18.84 64.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 78' ' ' ILE . 3.4 pt-20 -163.67 73.11 0.29 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.162 178.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -46.36 93.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.439 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.938 HG22 ' HA ' ' A' ' 103' ' ' GLU . 21.2 pt -112.33 124.51 69.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.621 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.893 ' O ' HG22 ' A' ' 40' ' ' THR . 0.4 OUTLIER -73.46 -41.18 63.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.014 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.734 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 1.3 t80 -119.46 141.8 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.759 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.732 ' OG ' ' HB1' ' A' ' 100' ' ' ALA . 1.7 t -154.32 130.4 10.3 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.534 -0.467 . . . . 0.0 112.195 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -86.22 136.96 32.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.469 ' CD1' ' CB ' ' A' ' 30' ' ' ALA . 5.8 m-85 -105.47 120.75 42.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.98 0.895 . . . . 0.0 113.153 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.53 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -134.23 114.69 13.31 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 176.607 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.567 HG11 ' N ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -112.97 148.81 15.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.59 0.71 . . . . 0.0 112.498 -178.026 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.62 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.7 tttm -130.35 132.81 46.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.93 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.0 mt -128.5 129.47 68.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.535 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.88 122.01 23.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.949 0.404 . . . . 0.0 111.787 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.502 ' HG2' HD13 ' A' ' 94' ' ' LEU . 6.9 mt-10 -105.48 114.21 28.25 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.173 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -131.13 -169.46 2.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.88 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.42 11.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.592 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -109.51 -18.25 13.56 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.836 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.796 ' O ' HD22 ' A' ' 94' ' ' LEU . . . 125.49 -106.16 0.87 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.552 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.938 ' HB3' HD12 ' A' ' 61' ' ' LEU . 3.0 mm? -135.73 133.15 37.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.841 0.353 . . . . 0.0 111.639 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.55 142.43 51.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.263 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.009 HD13 HD12 ' A' ' 53' ' ' ILE . 1.6 tt -127.75 129.32 46.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.777 0.322 . . . . 0.0 111.228 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.69 ' N ' HD23 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -124.75 119.26 28.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.844 0.354 . . . . 0.0 110.11 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -125.94 148.51 17.05 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.332 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 m -119.13 142.54 47.84 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 111.911 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.732 ' HB1' ' OG ' ' A' ' 81' ' ' SER . . . -140.75 133.29 28.6 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.472 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.817 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 7.5 ttt -124.58 146.0 49.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.54 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.514 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 110.61 80.97 1.17 Allowed Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.108 -1.044 . . . . 0.0 111.392 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.938 ' HA ' HG22 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -116.06 161.96 18.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.803 0.335 . . . . 0.0 111.589 -178.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 103' ' ' GLU . 3.9 tt0 92.81 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.179 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.693 ' HA ' HD11 ' A' ' 79' ' ' LEU . 7.3 tt -72.69 137.93 22.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.224 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -97.65 138.82 34.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.675 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.79 127.57 32.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.84 38.34 73.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.488 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.417 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 9.1 t-160 -83.53 102.6 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.777 0.323 . . . . 0.0 111.071 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 61.18 124.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.044 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -108.68 121.03 44.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.781 ' CD ' HG21 ' A' ' 38' ' ' THR . 0.0 OUTLIER -148.15 -179.39 6.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.522 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -89.75 127.46 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.717 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.547 ' HA ' HG12 ' A' ' 36' ' ' VAL . 1.4 mt-10 -121.66 143.79 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 115' ' ' VAL . 11.0 p -70.2 114.7 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.406 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -85.8 19.44 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.559 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.534 ' H ' HG22 ' A' ' 115' ' ' VAL . . . -161.22 90.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.724 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.454 HG13 HD13 ' A' ' 138' ' ' LEU . 85.1 t -90.26 109.09 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.823 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 137' ' ' ILE . 2.9 m -113.07 129.9 56.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.838 -178.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 28.3 p90 -74.1 65.44 1.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 178.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.703 ' CB ' ' HB ' ' A' ' 137' ' ' ILE . 1.3 t-80 -62.03 -44.08 97.46 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.538 ' SD ' HD13 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -121.67 -62.33 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.743 0.306 . . . . 0.0 110.427 179.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.512 ' CG ' HG22 ' A' ' 136' ' ' VAL . 25.0 mtt 47.7 51.83 13.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.23 0.538 . . . . 0.0 110.389 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.58 162.78 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.658 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.701 HG23 ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -116.97 119.07 60.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 111.605 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.631 HD21 ' HE1' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -103.53 136.46 43.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.772 178.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.9 OUTLIER -98.69 122.4 41.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.06 0.457 . . . . 0.0 111.828 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -124.68 119.65 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.473 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 59.06 22.19 10.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.24 0.79 73.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.052 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.1 OUTLIER -100.24 145.3 28.23 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.736 HD11 ' H ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.97 142.24 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.131 0.491 . . . . 0.0 111.814 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -133.96 137.61 44.94 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.923 178.119 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.587 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -110.21 137.93 47.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.575 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -140.07 121.57 15.15 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -179.028 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.953 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 96.7 t -130.46 115.11 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.425 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.878 ' C ' HD23 ' A' ' 138' ' ' LEU . 1.9 mp -82.65 133.07 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-O 121.234 0.54 . . . . 0.0 110.501 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.931 HD21 HG12 ' A' ' 136' ' ' VAL . 1.2 mt -125.04 151.87 45.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.063 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.494 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -83.81 112.6 20.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.294 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.485 HD23 HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.382 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tpt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.854 0.359 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -94.91 -29.68 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . 90.24 -6.82 82.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.877 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 2.8 p90 -107.05 140.01 40.55 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.474 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.95 134.51 20.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.898 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.481 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 9.8 p90 -114.44 147.55 39.1 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 14' ' ' GLY . 1.3 p90 -108.81 140.03 42.82 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.393 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.34 103.96 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -106.51 150.82 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.237 177.46 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.628 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 92.6 m -88.33 108.93 19.59 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.699 -0.401 . . . . 0.0 109.958 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.628 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 105.39 -44.23 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.32 0.581 . . . . 0.0 109.774 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.814 ' HB2' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.67 168.39 12.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.335 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.732 ' C ' HD13 ' A' ' 137' ' ' ILE . . . -149.0 120.24 7.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.526 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.713 ' N ' HD13 ' A' ' 137' ' ' ILE . . . -115.06 127.84 7.84 Favored Glycine 0 CA--C 1.508 -0.359 0 C-N-CA 120.117 -1.04 . . . . 0.0 110.855 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.658 ' HD2' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.41 147.27 29.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.402 0.62 . . . . 0.0 111.387 -178.312 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CE2' ' HB3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -111.58 125.36 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.673 179.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -126.43 156.99 39.74 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.365 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.624 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -126.15 159.6 32.47 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.329 -178.244 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.79 ' CA ' HD11 ' A' ' 132' ' ' ILE . . . -118.35 -162.57 12.29 Favored Glycine 0 CA--C 1.476 -2.368 0 CA-C-O 123.142 1.412 . . . . 0.0 113.912 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.505 ' H ' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -140.19 4.47 2.03 Favored 'General case' 0 N--CA 1.407 -2.583 0 CA-C-N 111.343 -2.429 . . . . 0.0 109.061 -179.071 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -176.67 34.7 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.548 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.562 ' O ' HG12 ' A' ' 25' ' ' VAL . 4.9 mp 67.69 -57.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.76 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.601 ' HB2' HG22 ' A' ' 85' ' ' VAL . 8.9 pm0 -62.45 -31.42 72.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.187 0.518 . . . . 0.0 109.973 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.505 ' HB2' ' H ' ' A' ' 20' ' ' HIS . 59.7 mm-40 -58.43 -43.94 88.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.398 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 22' ' ' LEU . 4.0 p -73.5 -38.5 52.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.377 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.67 ' HE1' HD12 ' A' ' 125' ' ' ILE . 7.1 m-85 -55.11 -42.9 73.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 0.0 110.45 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.952 ' HG3' HG13 ' A' ' 85' ' ' VAL . 6.3 mt-10 -57.51 -36.78 71.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.166 0.508 . . . . 0.0 109.736 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.45 -27.06 63.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.078 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.84 -42.01 64.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -90.88 -21.83 21.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.96 -37.12 48.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.658 ' HB1' ' HD2' ' A' ' 15' ' ' PHE . . . -58.47 -48.64 80.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.776 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.549 ' HE3' HD22 ' A' ' 69' ' ' LEU . 2.7 ptt? -71.95 -35.78 69.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.01 -36.4 69.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.56 -32.82 70.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.643 HG12 ' HB2' ' A' ' 113' ' ' ASP . 21.1 t -87.89 -31.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.993 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.445 ' HG3' HG21 ' A' ' 115' ' ' VAL . 26.9 mtp -78.69 -30.17 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.42 HG21 ' CB ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -160.75 -168.81 2.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.6 98.39 5.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.652 HG22 ' HB2' ' A' ' 80' ' ' PHE . 1.7 p -71.98 -21.68 61.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.68 -22.46 1.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.733 0.301 . . . . 0.0 111.081 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mp -105.82 38.75 1.92 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.616 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.1 p -91.27 114.71 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.281 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 -7.01 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.302 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.73 103.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.94 -19.83 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.639 ' O ' ' HA ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -148.93 169.52 20.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.958 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -143.24 124.06 14.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 99' ' ' THR . 4.8 mmm180 -121.0 152.53 38.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.447 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -123.78 142.82 50.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.919 0.39 . . . . 0.0 111.168 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.512 HG11 ' HG2' ' A' ' 68' ' ' GLU . 21.5 t -133.05 148.8 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.678 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.86 142.2 51.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.715 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.81 152.2 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.576 HG22 ' NE2' ' A' ' 95' ' ' HIS . 17.4 p -121.64 114.27 20.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.45 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 94' ' ' LEU . 30.2 t -120.84 163.92 17.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.337 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -151.93 40.1 0.63 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.772 0.32 . . . . 0.0 111.323 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' VAL . 0.6 OUTLIER -175.95 19.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 62.94 -69.35 0.07 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.775 0.321 . . . . 0.0 111.067 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.893 ' HA ' HG22 ' A' ' 125' ' ' ILE . 11.9 p -54.19 -45.08 66.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.474 ' N ' HG13 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -57.9 -38.31 75.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.488 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.517 HD12 HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.08 -36.57 70.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.984 0.421 . . . . 0.0 109.954 179.331 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.406 HD23 ' HB ' ' A' ' 125' ' ' ILE . 0.1 OUTLIER -71.97 -43.64 64.84 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.073 179.069 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.4 -35.03 74.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.682 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.91 -24.39 23.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.36 -53.08 61.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 111.003 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 HG11 ' A' ' 136' ' ' VAL . 0.5 OUTLIER -72.91 -41.21 64.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -179.669 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -51.1 -33.14 24.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.132 0.492 . . . . 0.0 109.842 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.512 ' HG2' HG11 ' A' ' 51' ' ' VAL . 1.2 tp10 -68.67 -35.89 77.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.779 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.67 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -71.17 -31.76 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.52 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.51 HD21 HG23 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -56.88 -50.28 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.699 -179.629 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -52.18 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.872 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.575 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 tp -54.27 -33.84 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.718 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.8 t60 -49.97 -52.55 32.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.139 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.14 -30.25 63.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 0.0 110.286 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.1 m -64.17 -19.1 65.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 78' ' ' ILE . 1.0 OUTLIER -166.05 70.21 0.13 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.713 178.72 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.651 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -49.4 92.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.565 179.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.784 HG21 ' CB ' ' A' ' 103' ' ' GLU . 2.5 pt -112.04 124.16 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.29 0.567 . . . . 0.0 111.13 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.805 ' HG ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -49.91 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.558 -179.22 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.652 ' HB2' HG22 ' A' ' 40' ' ' THR . 30.6 p90 -122.17 141.94 50.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 111.447 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -154.25 161.95 41.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.9 144.55 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 69' ' ' LEU . 51.1 m-85 -124.94 123.36 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.311 0.577 . . . . 0.0 112.113 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.401 ' HG2' ' HB ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -126.7 115.85 20.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.981 178.641 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.952 HG13 ' HG3' ' A' ' 27' ' ' GLU . 1.2 m -110.14 149.71 13.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.431 0.634 . . . . 0.0 111.24 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 97' ' ' THR . 5.1 tttp -127.79 119.13 25.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.672 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.677 ' CG2' HD21 ' A' ' 94' ' ' LEU . 6.5 mt -109.8 124.29 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.013 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.3 123.8 26.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.727 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -77.22 114.58 16.18 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.543 ' C ' ' H ' ' A' ' 92' ' ' ASP . 6.7 mmtp -75.12 -169.56 0.97 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.761 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.65 5.75 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER 171.23 -33.27 0.0 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.812 0.339 . . . . 0.0 110.357 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.65 -151.91 27.32 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.756 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.677 HD21 ' CG2' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -135.99 133.89 37.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.852 0.358 . . . . 0.0 111.8 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.576 ' NE2' HG22 ' A' ' 54' ' ' THR . 1.0 OUTLIER -127.26 120.65 29.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.942 178.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.715 HD22 ' CD1' ' A' ' 53' ' ' ILE . 9.8 tt -109.55 139.93 43.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.496 . . . . 0.0 111.802 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -123.11 119.26 29.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.782 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' A' ' 85' ' ' VAL . . . -118.6 148.48 18.42 Favored Glycine 0 C--N 1.32 -0.314 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.37 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 49' ' ' ARG . 3.3 m -129.59 142.44 50.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.561 0.22 . . . . 0.0 111.242 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.93 131.66 35.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.066 0.46 . . . . 0.0 111.414 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 4.1 ptt? -131.82 155.74 47.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.599 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.02 34.75 7.45 Favored Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.357 -0.925 . . . . 0.0 111.235 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.784 ' CB ' HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -94.5 116.27 28.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.29 -0.455 . . . . 0.0 111.302 -178.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -179.78 98.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.367 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.805 HD12 ' HG ' ' A' ' 79' ' ' LEU . 7.3 tp -72.54 130.91 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.184 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.01 156.24 22.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -30.3 64.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -115.77 58.46 0.46 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.421 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.66 ' CB ' HD23 ' A' ' 79' ' ' LEU . 38.3 p-80 -59.29 141.91 53.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 0.0 110.771 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 38' ' ' THR . 0.7 OUTLIER -57.53 120.72 8.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -108.78 102.62 11.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -95.69 -72.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.643 ' HB2' HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -113.1 159.15 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.758 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.73 103.7 16.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.401 . . . . 0.0 111.097 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.477 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . 24.0 t -111.46 109.74 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.668 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -65.27 -26.87 68.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.347 -179.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 171.09 -172.63 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.925 0.393 . . . . 0.0 111.36 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.966 HG12 HD12 ' A' ' 138' ' ' LEU . 4.1 m -118.35 113.22 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.607 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.7 m -115.09 104.54 11.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 111.561 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -37.81 101.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.534 179.3 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.686 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 20.1 t-160 -55.13 -37.43 66.9 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 122.447 1.118 . . . . 0.0 108.634 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.406 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 178.61 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 112.922 -1.945 . . . . 0.0 107.845 -179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.448 ' SD ' HD13 ' A' ' 66' ' ' LEU . 3.1 mtm 54.13 56.0 7.56 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.176 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.686 ' HA ' HG23 ' A' ' 59' ' ' VAL . 29.0 mt-10 -117.52 134.39 54.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.131 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.893 HG22 ' HA ' ' A' ' 59' ' ' VAL . 9.6 tt -96.29 112.27 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.009 0.433 . . . . 0.0 110.928 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 126' ' ' LEU . 3.5 mm? -104.63 136.38 44.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.195 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.602 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 13.5 p-10 -106.73 121.84 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.061 0.458 . . . . 0.0 111.274 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.85 127.19 46.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.55 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 57.75 21.44 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 111.084 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 90.98 0.51 74.45 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.694 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.8 OUTLIER -98.61 145.69 26.59 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.896 ' H ' HD13 ' A' ' 132' ' ' ILE . 0.2 OUTLIER -100.56 143.23 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 CA-C-O 120.802 0.334 . . . . 0.0 111.867 -179.347 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -134.68 136.13 42.54 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.062 177.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -125.38 138.46 54.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.585 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.457 ' HB3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -116.77 119.91 36.9 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.777 HG11 HD11 ' A' ' 66' ' ' LEU . 23.2 t -130.44 116.5 35.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.845 ' O ' HD13 ' A' ' 138' ' ' LEU . 0.8 OUTLIER -85.28 140.41 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.152 0.981 . . . . 0.0 110.523 177.68 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.966 HD12 HG12 ' A' ' 118' ' ' VAL . 0.9 OUTLIER -128.64 151.88 49.0 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.983 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -81.38 112.1 18.35 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.298 -177.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' A' ' 13' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.657 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 mtm . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.953 0.406 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -133.7 -65.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.971 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.87 10.42 85.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.688 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.571 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 14.0 p90 -141.9 139.56 32.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.76 0.314 . . . . 0.0 110.732 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -147.42 130.53 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.652 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 15' ' ' PHE . 12.4 p90 -111.75 147.14 36.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.937 0.399 . . . . 0.0 111.634 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.0 140.22 42.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.111 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.98 107.37 5.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -106.32 151.08 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.908 178.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.627 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 91.3 m -90.23 104.94 17.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.203 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 109.7 -46.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.591 0.71 . . . . 0.0 109.581 -178.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.756 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -119.37 169.6 9.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.87 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 138' ' ' LEU . . . -146.17 121.37 10.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.445 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.962 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -117.77 137.06 12.9 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.086 -1.054 . . . . 0.0 112.946 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.545 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -106.22 155.39 19.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.587 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.571 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -111.31 140.81 45.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.28 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.91 ' HB1' ' HB3' ' A' ' 28' ' ' ASN . . . -119.76 136.82 54.29 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.541 0.686 . . . . 0.0 110.036 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.473 ' CE1' ' HG2' ' A' ' 133' ' ' LYS . 47.1 m-85 -112.97 152.27 29.59 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.942 -177.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.577 ' N ' HG13 ' A' ' 25' ' ' VAL . . . -129.77 -172.48 13.16 Favored Glycine 0 CA--C 1.473 -2.591 0 CA-C-O 122.918 1.288 . . . . 0.0 113.625 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -147.77 0.07 0.64 Allowed 'General case' 0 N--CA 1.408 -2.572 0 CA-C-N 111.809 -2.195 . . . . 0.0 110.47 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 4.5 t70 -178.73 34.36 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.769 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.1 mt 72.5 -57.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.001 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.0 mt-10 -57.51 -31.33 65.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.365 0.602 . . . . 0.0 110.386 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 1.8 mm-40 -66.58 -47.28 73.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.043 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.67 HG11 ' HB ' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -62.71 -52.24 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.669 -179.366 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' HB2' HG21 ' A' ' 85' ' ' VAL . 50.5 m-85 -49.86 -37.58 31.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.237 0.541 . . . . 0.0 110.173 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -69.86 -40.89 75.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.665 179.004 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.91 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 11.9 t-20 -70.65 -27.34 63.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.103 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' HB3' ' HE1' ' A' ' 65' ' ' TRP . . . -52.77 -49.41 65.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.385 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.443 ' HB1' ' CZ ' ' A' ' 83' ' ' PHE . . . -73.02 -27.76 61.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.908 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' HA ' ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -54.95 -31.34 60.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.403 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -68.72 -53.51 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 0.0 111.356 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.662 ' SD ' HD21 ' A' ' 66' ' ' LEU . 22.4 ptm -72.16 -41.49 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.131 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.914 ' CD2' HG21 ' A' ' 40' ' ' THR . 0.0 OUTLIER -66.55 -33.14 75.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.582 0.229 . . . . 0.0 111.552 -178.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.489 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -65.62 -30.83 71.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 m -99.74 -36.62 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.456 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.694 ' O ' HG23 ' A' ' 38' ' ' THR . 1.6 mmt -54.49 -22.84 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.393 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 37' ' ' MET . 0.2 OUTLIER 176.8 170.21 0.5 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.881 0.372 . . . . 0.0 111.091 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -96.85 87.74 4.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.615 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.914 HG21 ' CD2' ' A' ' 34' ' ' PHE . 1.7 p -71.97 -21.56 61.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.428 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.541 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 1.2 m -62.22 76.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.74 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER 170.93 -8.39 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.744 179.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.682 HG23 HD22 ' A' ' 42' ' ' LEU . 16.7 t -116.72 134.91 58.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.809 0.338 . . . . 0.0 110.74 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -79.04 -81.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.468 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 178.47 101.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.983 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.68 -2.68 26.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.22 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 103' ' ' GLU . 9.6 tp10 -149.49 168.47 23.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -178.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.05 141.3 31.27 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.976 0.417 . . . . 0.0 111.214 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.3 mmm180 -141.33 141.79 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.201 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -118.99 142.95 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 0.0 111.258 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.7 t -132.21 143.72 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -125.75 139.38 53.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.03 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.82 HD12 HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -139.72 151.94 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.079 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 m -122.09 114.44 20.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.782 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.634 ' HB3' HD23 ' A' ' 61' ' ' LEU . 15.1 t -120.79 163.88 17.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.321 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -141.58 29.94 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.636 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' VAL . 11.2 t70 -175.45 26.43 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.427 ' C ' HD11 ' A' ' 125' ' ' ILE . 1.4 mtm105 63.84 -67.39 0.1 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.834 0.35 . . . . 0.0 111.538 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 125' ' ' ILE . 25.0 m -54.04 -42.11 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.759 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -56.26 -40.21 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.884 -179.822 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.82 HD11 HD12 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -54.09 -52.88 59.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.799 0.333 . . . . 0.0 110.106 179.349 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.997 HD23 HG23 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -52.58 -41.71 63.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.048 0.452 . . . . 0.0 110.022 179.104 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -55.7 -35.1 65.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.374 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -97.3 -26.29 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.307 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.583 ' HE3' HD11 ' A' ' 53' ' ' ILE . 24.7 t-105 -59.15 -53.05 62.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.952 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.662 HD21 ' SD ' ' A' ' 33' ' ' MET . 0.4 OUTLIER -71.53 -45.05 63.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.33 -33.22 28.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.184 0.516 . . . . 0.0 109.61 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.57 -37.59 82.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.726 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' HA ' HG22 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -70.0 -31.93 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.565 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -58.23 -50.97 71.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.595 -179.512 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -52.14 20.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.867 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -53.91 -34.56 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.763 -179.435 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.454 ' CE1' ' CE ' ' A' ' 33' ' ' MET . 0.2 OUTLIER -50.33 -52.8 33.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.118 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -29.32 62.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.319 . . . . 0.0 110.318 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -63.66 -17.66 63.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.866 ' O ' HG23 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -168.7 65.25 0.06 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.067 178.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.648 ' O ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -55.24 94.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.038 179.14 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 76' ' ' GLU . 12.6 pt -111.77 144.21 20.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.638 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.865 HD11 ' HA ' ' A' ' 109' ' ' HIS . 0.2 OUTLIER -62.64 -45.13 94.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.135 -179.115 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.524 ' CB ' ' HB ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -119.78 144.77 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.166 0.508 . . . . 0.0 111.693 -178.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.4 t -154.32 130.51 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.894 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -91.04 150.61 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CZ ' ' HB1' ' A' ' 30' ' ' ALA . 25.8 m-85 -123.67 122.52 38.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.721 0.772 . . . . 0.0 112.403 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.54 115.27 15.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 177.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.529 HG11 ' N ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -110.42 148.89 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.957 0.884 . . . . 0.0 112.749 -177.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 97' ' ' THR . 4.4 tptm -130.38 139.61 50.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.332 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.505 HG13 ' HG3' ' A' ' 23' ' ' GLU . 96.2 mt -123.97 124.04 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.315 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -133.42 122.8 24.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.562 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -98.09 114.09 26.17 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.416 0.627 . . . . 0.0 109.706 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -120.67 -169.42 1.81 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.43 -179.443 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.12 8.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.773 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -121.21 39.71 3.76 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.475 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.36 -104.0 2.0 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.224 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.758 HD12 ' N ' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -136.44 141.22 43.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.6 0.238 . . . . 0.0 110.52 179.4 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.758 ' N ' HD12 ' A' ' 94' ' ' LEU . 6.0 t60 -127.58 143.88 51.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.807 HD13 ' CD1' ' A' ' 61' ' ' LEU . 9.4 tt -121.41 138.46 54.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.656 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.19 119.68 30.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.417 179.373 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -121.14 148.38 17.45 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.349 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -123.84 142.8 50.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.801 0.334 . . . . 0.0 111.54 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 49' ' ' ARG . . . -134.27 132.76 40.01 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.078 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.516 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.53 154.96 47.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.037 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.726 ' O ' HD12 ' A' ' 78' ' ' ILE . . . 104.88 60.52 0.65 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.859 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.4 tt0 -94.91 115.67 27.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.657 0.265 . . . . 0.0 110.874 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 1.3 tt0 168.41 98.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.648 HD13 ' O ' ' A' ' 77' ' ' PHE . 10.9 tp -86.89 127.63 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.738 ' H ' HD12 ' A' ' 79' ' ' LEU . 4.9 tttt -92.93 157.16 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.119 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.15 -54.97 40.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.12 57.38 3.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.315 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.865 ' HA ' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.27 106.72 0.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.949 0.405 . . . . 0.0 111.046 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 38' ' ' THR . 54.0 mt-10 -58.44 121.46 10.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -108.76 132.26 54.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.24 -76.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.02 159.06 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -116.78 110.92 19.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.418 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.829 ' HA ' ' OXT' ' A' ' 140' ' ' LEU . 12.7 p -111.13 112.25 39.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.351 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 140' ' ' LEU . 12.5 ptmt -63.47 -24.01 67.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.782 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.28 170.18 3.12 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 70' ' ' LEU . 8.0 p -117.89 108.88 25.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.591 178.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 121' ' ' HIS . 38.3 m -115.1 130.65 56.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.443 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 119' ' ' THR . 7.8 p90 -28.88 86.04 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.557 0.694 . . . . 0.0 111.336 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.913 ' NE2' HG13 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -77.19 -44.99 28.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.366 -178.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.516 ' HB3' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER 171.56 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.804 ' HG2' HD12 ' A' ' 62' ' ' LEU . 6.5 ttm 43.8 63.14 1.68 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.728 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -141.48 143.52 33.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.104 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.997 HG23 HD23 ' A' ' 62' ' ' LEU . 5.8 pt -96.46 113.44 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 111.466 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.725 HD13 ' N ' ' A' ' 127' ' ' ASP . 0.4 OUTLIER -103.36 136.38 43.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.961 179.328 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.725 ' N ' HD13 ' A' ' 126' ' ' LEU . 2.0 p30 -101.39 122.5 43.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.1 0.476 . . . . 0.0 111.915 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -124.55 127.26 47.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.463 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 t0 59.27 20.32 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.985 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.07 0.64 73.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.053 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 13.6 mt -100.26 145.18 28.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.67 ' HB ' HG11 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -100.9 136.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.943 0.401 . . . . 0.0 111.925 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -134.31 137.07 43.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.198 178.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . . . -113.48 148.98 34.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.729 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD2' ' HB3' ' A' ' 122' ' ' MET . 0.0 OUTLIER -128.38 120.32 26.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.962 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 15.6 t -130.97 114.06 26.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.499 176.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.802 ' C ' HD23 ' A' ' 138' ' ' LEU . 0.2 OUTLIER -106.83 115.57 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.43 1.492 . . . . 0.0 109.567 177.536 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.928 HD21 HG12 ' A' ' 136' ' ' VAL . 1.1 mt -105.32 152.89 22.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.161 0.505 . . . . 0.0 112.204 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.85 112.86 19.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.0 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.829 ' OXT' ' HA ' ' A' ' 115' ' ' VAL . 9.1 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.631 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 ttp . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.846 0.355 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -79.22 -22.59 44.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 18' ' ' TYR . . . 95.31 11.75 55.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.709 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -104.48 140.01 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.372 . . . . 0.0 111.048 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -146.49 144.37 29.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.236 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.472 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 7.3 p90 -114.37 147.6 38.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.98 0.419 . . . . 0.0 111.958 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CE1' ' HA3' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -108.88 140.11 42.81 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.623 178.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -77.84 100.03 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.741 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.3 t -106.67 151.04 8.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.733 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.626 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.7 m -94.74 106.25 18.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.096 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.626 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 110.52 -43.59 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.433 0.635 . . . . 0.0 109.446 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.797 ' HB2' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.86 168.64 12.49 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.211 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.683 ' C ' HD13 ' A' ' 137' ' ' ILE . . . -147.96 120.09 8.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.427 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.718 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -116.51 136.31 12.72 Favored Glycine 0 CA--C 1.507 -0.419 0 C-N-CA 120.096 -1.049 . . . . 0.0 111.353 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.769 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -105.94 147.99 28.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.094 0.473 . . . . 0.0 110.589 -179.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.489 ' HA ' ' O ' ' A' ' 134' ' ' ALA . 0.1 OUTLIER -120.25 125.3 47.76 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.975 179.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -123.19 149.69 44.32 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.151 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.586 ' HA ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -113.16 146.83 38.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.769 -178.133 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.695 ' N ' HG13 ' A' ' 25' ' ' VAL . . . -108.31 -166.96 21.21 Favored Glycine 0 CA--C 1.472 -2.611 0 CA-C-O 123.212 1.451 . . . . 0.0 114.155 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.479 ' CG ' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -145.76 6.19 1.05 Allowed 'General case' 0 N--CA 1.406 -2.633 0 CA-C-N 111.218 -2.491 . . . . 0.0 109.481 -179.052 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -177.46 27.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.293 -179.757 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.606 HD23 HG21 ' A' ' 132' ' ' ILE . 4.8 mt 74.48 -55.83 0.65 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.642 0.377 . . . . 0.0 111.455 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.568 ' HB2' HG22 ' A' ' 85' ' ' VAL . 12.2 pm0 -62.81 -31.39 72.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.368 0.604 . . . . 0.0 109.513 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HG3' ' CG ' ' A' ' 20' ' ' HIS . 3.5 mm-40 -57.43 -40.98 79.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.787 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG13 ' N ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -72.54 -44.59 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.276 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.905 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 11.5 m-85 -49.96 -45.68 51.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.914 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.798 ' CG ' HG13 ' A' ' 85' ' ' VAL . 89.2 mt-10 -54.92 -44.88 74.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.64 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -70.15 -27.45 64.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.181 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 26' ' ' PHE . . . -52.98 -25.21 11.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.353 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.74 -27.22 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD12 ' HG3' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -66.51 -42.27 87.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.769 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -52.33 -51.3 59.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.409 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.2 ttp -69.89 -47.49 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.782 ' CD2' HG21 ' A' ' 40' ' ' THR . 0.0 OUTLIER -60.62 -33.49 72.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.874 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' HG3' HD12 ' A' ' 31' ' ' LEU . 1.5 mm-40 -60.64 -39.03 86.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.721 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -85.89 -41.47 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -23.88 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 t 171.57 148.47 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.738 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -72.94 87.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.734 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.782 HG21 ' CD2' ' A' ' 34' ' ' PHE . 18.6 p -68.89 -27.91 66.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -51.91 -20.01 2.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.656 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -8.48 55.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.657 0.265 . . . . 0.0 111.406 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 80' ' ' PHE . 40.9 t -118.84 135.12 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.465 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 6.0 mm-40 -79.81 -80.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.698 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 44' ' ' GLU . . . 174.11 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.535 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' H ' ' HA2' ' A' ' 102' ' ' GLY . . . -97.69 -29.79 13.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.07 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 101' ' ' MET . 3.5 mm-40 -134.51 170.18 16.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.352 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -142.28 127.84 19.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.886 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.709 ' HD2' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -130.93 150.16 52.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.255 179.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -115.68 142.95 46.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.112 0.482 . . . . 0.0 111.298 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.2 t -125.95 149.09 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.457 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.24 143.52 50.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.191 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.793 ' CD1' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -139.53 152.05 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.918 0.39 . . . . 0.0 111.616 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -119.46 114.53 22.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.328 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 94' ' ' LEU . 1.8 t -120.58 163.51 17.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.176 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HG2' ' HA2' ' A' ' 93' ' ' GLY . 16.8 mt-10 -152.74 23.55 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.759 0.314 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.8 t0 -164.11 16.29 0.06 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.995 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 2.3 ttp-105 64.86 -65.79 0.14 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 111.326 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.928 HG23 ' CB ' ' A' ' 124' ' ' GLU . 7.4 p -54.21 -47.13 68.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.867 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.489 ' N ' HG13 ' A' ' 59' ' ' VAL . 1.4 m -57.45 -34.88 69.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.421 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.048 HD11 HD13 ' A' ' 96' ' ' LEU . 2.7 tm? -54.01 -51.24 64.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 110.652 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.672 HD22 ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -57.17 -37.91 72.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.121 0.486 . . . . 0.0 110.348 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -60.5 -35.1 75.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.208 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -98.84 -22.15 15.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.599 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.525 ' CE3' HD11 ' A' ' 53' ' ' ILE . 6.5 t-105 -62.85 -53.42 54.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.772 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -73.13 -42.44 62.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -34.14 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.141 0.496 . . . . 0.0 109.725 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.16 -45.54 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.903 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD13 HD11 ' A' ' 72' ' ' ILE . 2.9 mm? -72.18 -32.02 66.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.904 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.126 HD21 HG21 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -63.61 -52.33 61.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.735 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.921 ' O ' HG23 ' A' ' 75' ' ' THR . 1.0 OUTLIER -57.16 -52.45 65.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.677 -179.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 73' ' ' HIS . 2.1 pp -64.34 -44.32 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 111.768 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.503 ' N ' HD12 ' A' ' 72' ' ' ILE . 36.1 m170 -52.36 -48.31 65.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.944 0.402 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -29.1 62.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.412 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.921 HG23 ' O ' ' A' ' 71' ' ' PHE . 68.8 p -64.14 -2.24 1.96 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.688 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 75' ' ' THR . 1.5 tp10 80.18 43.8 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.203 0.525 . . . . 0.0 110.213 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.422 ' CD2' ' HB ' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -84.73 -77.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.867 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.536 ' H ' HD13 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -131.65 152.45 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.817 -178.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.706 HD22 ' HB3' ' A' ' 109' ' ' HIS . 7.0 tp -88.38 -39.85 13.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.101 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -119.83 144.49 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.855 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.45 130.48 10.24 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.204 -0.599 . . . . 0.0 112.185 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -85.88 128.53 34.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -105.23 122.66 46.4 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.568 ' O ' ' HA2' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -132.1 114.71 14.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.231 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.798 HG13 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -111.9 150.07 14.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.497 0.665 . . . . 0.0 111.84 -177.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.651 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.4 OUTLIER -126.59 118.99 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.682 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 22' ' ' LEU . 4.5 mt -107.63 144.64 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.389 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 12.1 m-20 -131.93 121.23 23.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.021 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.75 113.04 26.37 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.807 0.813 . . . . 0.0 111.018 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.819 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -132.28 -167.95 1.97 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.323 -1.308 . . . . 0.0 108.676 179.139 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 90' ' ' LYS . 70.4 m-20 -4.13 -45.74 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.819 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER 167.31 -36.66 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.431 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -86.87 100.13 2.53 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.566 HD23 ' H ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -94.22 127.48 40.1 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.186 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -100.36 143.73 30.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.136 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.048 HD13 HD11 ' A' ' 61' ' ' LEU . 10.4 tt -110.2 141.66 42.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.651 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -119.34 119.21 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.39 178.431 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.568 ' HA2' ' O ' ' A' ' 84' ' ' LYS . . . -122.65 148.82 16.93 Favored Glycine 0 C--N 1.32 -0.338 0 C-N-CA 120.926 -0.654 . . . . 0.0 114.104 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -118.79 142.7 47.47 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.463 0.305 . . . . 0.0 111.43 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.709 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . . . -135.21 132.7 38.22 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.066 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.566 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 5.4 ptm -130.64 155.36 46.69 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.062 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.541 ' HA2' ' H ' ' A' ' 46' ' ' ALA . . . 97.35 55.26 1.19 Allowed Glycine 0 C--N 1.335 0.492 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.649 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.531 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 1.1 tt0 -92.77 115.93 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.055 0.455 . . . . 0.0 111.486 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 173.61 65.53 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.535 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.849 HD13 ' N ' ' A' ' 106' ' ' LYS . 0.2 OUTLIER -72.71 135.9 26.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.114 -179.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.849 ' N ' HD13 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -122.44 142.33 50.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.573 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.09 106.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.29 38.55 95.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.216 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.706 ' HB3' HD22 ' A' ' 79' ' ' LEU . 1.1 t-160 -76.48 108.11 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.242 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 60.75 115.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -108.72 137.51 46.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 -67.17 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.749 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -128.32 145.17 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -120.97 103.68 9.23 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.329 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.3 m -97.41 122.27 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.784 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -67.12 -8.68 32.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . -179.75 167.17 1.36 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.959 0.409 . . . . 0.0 111.96 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.126 HG21 HD21 ' A' ' 70' ' ' LEU . 70.3 t -118.21 108.75 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.592 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 137' ' ' ILE . 11.6 m -115.53 104.36 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.323 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.548 ' HB3' ' HE3' ' A' ' 123' ' ' MET . 10.0 p90 -42.48 110.91 0.2 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.668 ' H ' ' H ' ' A' ' 137' ' ' ILE . 2.5 t60 -55.23 -42.58 73.61 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.85 1.31 . . . . 0.0 108.159 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.423 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 31.6 tpp -165.64 -35.39 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 112.141 -2.3 . . . . 0.0 107.264 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.621 ' HG2' HG22 ' A' ' 136' ' ' VAL . 12.2 mtt 51.55 70.96 0.48 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.819 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.928 ' CB ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -157.99 146.64 19.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.316 -179.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 133' ' ' LYS . 75.4 mt -96.5 114.06 32.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.23 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -103.15 136.41 42.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.529 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 0.7 OUTLIER -96.59 121.8 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.424 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 2.8 pp20? -125.24 126.82 45.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.065 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 t70 60.03 20.52 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 87.99 0.51 83.24 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -97.53 146.24 25.45 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.619 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.606 HG21 HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -99.96 135.81 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.214 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 125' ' ' ILE . 24.4 mtpp -134.31 136.66 43.65 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.914 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -117.43 144.09 45.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.225 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.423 ' HD2' ' CB ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -130.26 121.74 26.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -178.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.772 HG11 ' CD1' ' A' ' 66' ' ' LEU . 18.6 t -130.09 116.26 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.946 ' C ' HD22 ' A' ' 138' ' ' LEU . 0.7 OUTLIER -85.7 141.55 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.8 1.24 . . . . 0.0 110.228 177.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.946 HD22 ' C ' ' A' ' 137' ' ' ILE . 2.6 mm? -128.76 150.89 50.1 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.701 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -82.54 136.91 34.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.479 0.656 . . . . 0.0 112.057 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.922 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.9 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt 62.99 25.9 15.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.25 -10.73 69.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.166 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 15.0 p90 -142.02 139.6 32.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.956 0.378 . . . . 0.0 111.263 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -147.22 135.16 21.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.307 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.483 ' HB3' ' CD2' ' A' ' 15' ' ' PHE . 6.6 p90 -114.55 147.31 39.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 112.117 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.458 ' CE2' ' HA3' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -109.16 140.22 43.03 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.638 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -84.02 104.07 13.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 12' ' ' ASP . 1.0 OUTLIER -106.45 150.89 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.608 177.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.63 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 97.1 m -88.03 110.86 20.93 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.63 ' CB ' ' O ' ' A' ' 10' ' ' THR . . . 104.73 -44.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.405 0.622 . . . . 0.0 109.329 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.76 ' HB2' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -123.88 168.25 13.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.916 179.542 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.672 ' C ' HD13 ' A' ' 137' ' ' ILE . . . -148.75 120.5 8.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.221 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.762 ' HA2' ' O ' ' A' ' 136' ' ' VAL . . . -110.38 136.24 13.45 Favored Glycine 0 CA--C 1.505 -0.558 0 C-N-CA 119.677 -1.249 . . . . 0.0 111.582 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.735 ' CZ ' HG21 ' A' ' 36' ' ' VAL . 2.4 m-85 -105.75 157.4 17.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.169 0.509 . . . . 0.0 110.604 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 28.8 m95 -111.44 131.59 55.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.698 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.717 ' O ' ' HA ' ' A' ' 133' ' ' LYS . . . -119.37 149.2 42.23 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-O 121.3 0.571 . . . . 0.0 109.788 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -112.43 159.34 18.84 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.471 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.578 ' CA ' HG13 ' A' ' 25' ' ' VAL . . . -112.16 -174.42 19.54 Favored Glycine 0 CA--C 1.489 -1.537 0 CA-C-O 122.623 1.124 . . . . 0.0 114.652 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -150.62 1.75 0.45 Allowed 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 112.393 -1.903 . . . . 0.0 110.389 -178.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 0.7 OUTLIER 165.29 37.4 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.224 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.0 HD22 HD12 ' A' ' 132' ' ' ILE . 2.9 mm? 71.66 -54.96 0.67 Allowed 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.379 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.769 ' O ' HG11 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -54.86 -42.64 72.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.083 0.468 . . . . 0.0 110.121 179.187 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 1.9 tp10 -53.35 -47.6 69.24 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.578 HG13 ' CA ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -62.56 -40.3 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.942 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 60.5 m-85 -54.48 -54.18 44.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.685 0.279 . . . . 0.0 111.727 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.705 ' CG ' HG12 ' A' ' 85' ' ' VAL . 1.1 mm-40 -70.34 -32.86 70.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.767 0.317 . . . . 0.0 110.585 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.534 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 35.5 t-20 -60.86 -28.28 68.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -45.98 77.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.726 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.01 -27.65 67.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.72 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -58.14 -56.71 18.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.223 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.528 ' HB1' ' CB ' ' A' ' 15' ' ' PHE . . . -55.25 -41.3 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.347 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.8 -48.66 44.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.291 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.456 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 4.7 m-85 -65.55 -42.33 91.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HG3' HD23 ' A' ' 31' ' ' LEU . 2.1 mt-10 -53.49 -30.76 42.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.735 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 21.6 t -95.51 -39.86 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.232 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.651 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -58.79 -37.86 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 37' ' ' MET . 0.1 OUTLIER 179.09 -172.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.982 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.17 146.78 43.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -58.12 -41.02 82.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.411 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.673 ' CB ' HD13 ' A' ' 42' ' ' LEU . 15.9 t 68.95 -62.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.562 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.673 HD13 ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -149.87 34.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.628 0.252 . . . . 0.0 111.609 -179.791 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 40' ' ' THR . 13.2 t -91.34 113.83 27.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 44.6 mm-40 -94.06 16.47 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.376 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . 79.25 75.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 110.816 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.36 -44.97 20.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.313 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.568 ' O ' ' HA ' ' A' ' 101' ' ' MET . 14.6 mm-40 -114.29 170.75 8.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.088 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.76 141.02 33.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.704 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.647 ' HD2' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -137.4 122.99 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -106.26 142.83 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.742 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 97' ' ' THR . 23.8 t -130.43 146.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.75 133.65 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.695 HD11 ' CE3' ' A' ' 65' ' ' TRP . 0.3 OUTLIER -139.85 147.47 23.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.73 HG22 ' CD2' ' A' ' 95' ' ' HIS . 10.4 p -122.53 112.63 18.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.992 0.425 . . . . 0.0 110.839 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.595 ' HB3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.58 163.86 19.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.655 178.167 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -140.45 56.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.462 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 59' ' ' VAL . 2.8 t0 -179.47 22.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? 60.85 -74.32 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.754 0.312 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' ASP . 33.7 m -54.23 -41.81 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -56.34 -41.22 75.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.159 179.455 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.942 HD23 ' CZ ' ' A' ' 26' ' ' PHE . 15.3 tp -53.94 -35.27 61.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.779 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.98 HD23 HG23 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -72.58 -48.56 38.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.254 179.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -55.37 -39.0 69.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.317 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.92 -15.0 40.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.413 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.695 ' CE3' HD11 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -72.88 -53.15 12.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.834 0.349 . . . . 0.0 111.235 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.707 ' CD1' HG11 ' A' ' 136' ' ' VAL . 0.6 OUTLIER -70.96 -42.48 69.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.112 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -33.28 20.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.183 0.516 . . . . 0.0 109.888 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.3 tp10 -67.72 -38.87 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.639 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.8 -31.85 73.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.522 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.413 HD21 HG13 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -53.52 -52.55 59.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.949 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -71.46 -44.07 65.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 68' ' ' GLU . 18.6 mt -59.48 -34.49 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.231 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -50.27 -52.95 32.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.197 -179.563 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.57 -32.49 64.17 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.805 0.336 . . . . 0.0 110.231 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.4 m -64.15 -18.68 64.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 78' ' ' ILE . 2.9 mt-10 -164.31 72.32 0.23 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.845 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.611 ' CD1' HG21 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -58.77 92.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.503 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.509 ' CG2' ' HA ' ' A' ' 103' ' ' GLU . 1.1 pt -112.98 138.0 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.841 HD21 ' HB2' ' A' ' 109' ' ' HIS . 88.4 mt -54.58 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 34' ' ' PHE . 9.9 t80 -126.28 155.39 42.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.416 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' A' ' 101' ' ' MET . 2.0 t -154.21 163.51 40.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.436 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -80.12 138.27 36.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.054 0.454 . . . . 0.0 110.094 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.586 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 51.2 m-85 -105.57 122.52 46.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 112.877 -177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.4 ' HG2' ' CB ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -132.39 125.38 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.063 177.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.769 HG11 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -126.38 150.31 31.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.997 0.903 . . . . 0.0 112.755 -177.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -127.85 139.75 52.44 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 113.923 -1.49 . . . . 0.0 110.71 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.4 HG13 ' CG ' ' A' ' 23' ' ' GLU . 12.8 mt -126.26 123.58 63.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.369 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -133.71 122.65 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.387 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.23 113.84 25.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.394 0.616 . . . . 0.0 109.791 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -120.16 -169.49 1.8 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.392 -179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.19 9.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.679 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 90' ' ' LYS . 3.3 m-20 -123.81 39.16 4.03 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.132 0.491 . . . . 0.0 109.885 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.64 -102.77 2.02 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.783 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.939 HD12 ' N ' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -136.58 146.93 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.939 ' N ' HD12 ' A' ' 94' ' ' LEU . 47.1 t-80 -127.05 143.98 51.15 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.739 0.304 . . . . 0.0 111.579 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 61' ' ' LEU . 6.9 tt -121.39 136.19 54.99 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.349 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.652 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -124.97 119.71 29.52 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 178.182 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -122.58 148.65 16.94 Favored Glycine 0 C--N 1.315 -0.583 0 C-N-CA 121.083 -0.579 . . . . 0.0 113.789 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.4 ' CB ' ' HG2' ' A' ' 84' ' ' LYS . 3.2 m -128.33 142.67 51.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.814 0.34 . . . . 0.0 111.592 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.647 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . . . -140.2 132.29 27.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.72 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.568 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -130.98 155.03 47.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.925 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.429 ' CA ' ' HA ' ' A' ' 45' ' ' ALA . . . 104.41 54.11 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.279 -0.963 . . . . 0.0 111.539 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.526 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.3 tt0 -99.5 118.16 35.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.891 0.377 . . . . 0.0 111.24 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 177.84 82.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.058 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.611 HG21 ' CD1' ' A' ' 77' ' ' PHE . 1.1 tt -72.53 138.09 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.802 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -112.68 144.03 42.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.688 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.14 -49.16 33.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.952 0.406 . . . . 0.0 110.553 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -96.26 55.86 1.5 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.63 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.841 ' HB2' HD21 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -59.03 152.31 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 111.321 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 38' ' ' THR . 8.9 tp10 -66.54 132.92 49.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.416 ' HD2' ' CE1' ' A' ' 109' ' ' HIS . 0.7 OUTLIER -108.61 137.12 47.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -63.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.738 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.23 149.67 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -86.47 104.08 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 115' ' ' VAL . 14.8 p -108.18 113.09 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -65.53 -25.33 67.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.142 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 174.69 -177.23 0.09 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.946 0.403 . . . . 0.0 111.671 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.897 HG23 ' CD1' ' A' ' 138' ' ' LEU . 2.7 p -117.33 110.05 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.614 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.3 m -115.25 104.51 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.328 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 120' ' ' PHE . 34.6 p90 -40.95 106.85 0.06 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.362 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.678 ' HB2' ' N ' ' A' ' 137' ' ' ILE . 4.5 t60 -55.24 -38.45 68.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 122.866 1.317 . . . . 0.0 108.02 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.48 ' CB ' ' HD2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -176.96 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 112.056 -2.338 . . . . 0.0 106.975 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.668 ' HG3' HG22 ' A' ' 136' ' ' VAL . 0.8 OUTLIER 51.33 62.84 2.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.141 178.402 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -133.33 142.99 48.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.037 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.98 HG23 HD23 ' A' ' 62' ' ' LEU . 4.1 pt -96.41 113.16 30.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.99 136.46 42.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.18 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' A' ' 131' ' ' LEU . 1.5 m-20 -97.91 122.45 41.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.003 0.43 . . . . 0.0 111.811 -178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.55 118.35 26.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.448 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.95 23.6 13.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.42 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.38 0.74 72.85 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.533 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.543 ' O ' ' HA ' ' A' ' 127' ' ' ASP . 12.8 mt -101.99 145.73 28.87 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 1.0 HD12 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.6 136.55 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.883 -179.256 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.717 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 4.2 mttp -134.15 137.41 44.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.412 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 16' ' ' TRP . . . -115.58 148.3 39.74 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.277 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HD2' ' CB ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -125.71 120.17 29.94 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -179.175 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.762 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 11.1 t -130.43 116.81 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.938 ' C ' HD22 ' A' ' 138' ' ' LEU . 0.8 OUTLIER -85.86 140.82 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.364 1.066 . . . . 0.0 110.069 177.082 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.938 HD22 ' C ' ' A' ' 137' ' ' ILE . 2.4 mm? -131.04 151.94 50.88 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.919 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 115' ' ' VAL . 0.7 OUTLIER -81.79 112.21 18.73 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.627 -177.188 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.491 ' HB3' ' HA ' ' A' ' 115' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.536 179.683 . . . . . . . . 2 2 . 1 stop_ save_