data_2h9z_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 2h9z _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.524 -0.053 0 CA-C-O 120.818 0.342 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 62.3 Cg_endo -89.93 68.94 1.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.715 2.277 . . . . 0.0 112.449 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.86 178.89 7.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.093 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.6 124.52 26.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.499 ' CD1' ' CZ ' ' A' ' 18' ' ' TYR . 3.2 t-105 -108.38 141.2 40.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -112.47 128.34 56.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.546 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CZ ' ' CD1' ' A' ' 16' ' ' TRP . 54.9 m-85 -122.32 123.54 41.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.178 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HG3' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -82.67 99.77 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.299 179.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.02 122.99 66.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.407 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' A' ' 56' ' ' SER . 1.3 mm -115.28 143.97 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.463 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.76 150.02 41.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.691 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 p -125.94 69.68 1.2 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -149.45 154.34 38.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.04 29.01 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -145.76 33.94 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -77.02 -4.97 46.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.411 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -51.99 -29.83 22.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.79 0.329 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -71.9 -30.15 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.745 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.43 -46.08 16.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.698 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -58.16 -22.11 49.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -90.3 -30.04 17.73 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 30' ' ' LEU . 1.4 pp -87.37 -30.65 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.3 mt -77.3 -25.37 51.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.799 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -5.31 59.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.588 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t -56.22 -36.93 69.0 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.851 0.358 . . . . 0.0 110.964 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 60.06 45.15 12.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -59.38 -57.6 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -106.09 170.67 5.56 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.29 74.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.562 2.174 . . . . 0.0 112.593 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' ARG . 16.4 p90 -140.11 154.03 46.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -140.12 166.9 23.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mp -138.91 132.32 30.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.38 97.97 9.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.613 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -59.56 128.18 35.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -80.45 109.11 14.64 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.313 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.523 ' HA ' HD11 ' A' ' 21' ' ' ILE . 68.8 m -95.65 133.83 39.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.377 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -148.41 136.9 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -97.09 161.94 13.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.725 0.298 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 t -137.59 110.32 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.565 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.13 115.19 27.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.281 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.05 162.2 38.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.953 0.406 . . . . 0.0 111.343 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.96 125.4 26.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.297 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 94.7 t -123.61 141.45 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.448 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.1 t -111.47 -29.81 7.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -177.44 -175.02 0.52 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.08 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -32.79 39.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -54.48 19.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.981 0.42 . . . . 0.0 110.561 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.552 ' O ' HG13 ' A' ' 72' ' ' ILE . 3.6 mt-10 -67.98 -52.61 33.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.147 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -30.36 1.24 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.71 -30.44 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.734 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' GLU . 4.0 tp10 -84.5 -34.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 68' ' ' GLU . 5.7 mt -71.72 -28.87 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -76.63 -36.2 57.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -80.06 -27.04 39.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -75.56 -40.1 57.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.015 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.8 tp -72.8 -31.54 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.03 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.0 t -100.49 26.24 6.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -52.94 62.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.28 -175.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -119.08 31.39 6.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -101.15 -56.49 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.762 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 35.4 m -47.38 137.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.488 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.5 t -123.25 -44.66 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.84 131.61 52.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -134.69 152.84 52.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.7 p90 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.756 0.313 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 60.9 Cg_endo -89.91 67.42 2.02 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.72 2.28 . . . . 0.0 112.223 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.2 p -139.63 170.05 16.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.59 112.01 17.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -106.95 141.32 38.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.02 145.45 24.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.714 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.414 ' CE2' HG21 ' A' ' 72' ' ' ILE . 85.2 m-85 -125.31 106.16 9.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 100.01 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.465 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.81 127.69 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.44 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -117.66 137.41 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.475 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 2.8 mtt -114.65 144.5 43.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 111.012 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 p -122.65 69.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.389 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.96 149.18 30.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 0.16 55.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.352 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.09 37.79 3.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.884 0.373 . . . . 0.0 110.811 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 p -77.21 -4.94 47.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.403 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.34 -30.15 4.64 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -72.71 -45.77 57.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.5 tp -75.18 -29.88 60.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.83 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -33.4 67.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -87.25 -28.62 22.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.855 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -71.08 -28.33 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.732 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.4 mt -89.87 -32.02 17.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.27 -8.06 59.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.479 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -60.06 -40.79 90.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.427 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 13.7 m-85 58.64 44.93 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.11 -44.33 95.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.408 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 6.6 ptp85 -111.2 168.44 7.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.529 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 23.5 Cg_exo -65.11 65.0 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.681 2.254 . . . . 0.0 112.623 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CE1' ' HA ' ' A' ' 37' ' ' TYR . 17.6 p90 -128.78 141.92 51.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.772 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -120.42 167.19 12.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.07 137.56 34.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.046 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 4.5 mt-10 -104.63 92.07 4.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.475 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -59.67 114.4 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.961 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.814 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 3.5 m-85 -112.43 109.45 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.736 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.442 ' HA ' HD13 ' A' ' 21' ' ' ILE . 71.0 m -82.61 142.28 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 55' ' ' TYR . 94.6 m-85 -149.88 135.17 18.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.401 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -99.29 159.24 15.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.602 179.756 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -135.94 112.47 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.349 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.95 105.93 16.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.653 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.1 tpt -129.02 150.94 50.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.896 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -77.43 99.73 5.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.785 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 47.3 t -84.3 141.83 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 1.3 m -113.65 -31.39 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -177.32 -175.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -28.18 27.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.019 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -61.8 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.759 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.509 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.0 mt-10 -62.77 -50.7 70.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.414 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 ttt-85 -42.62 -42.27 3.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.426 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.07 -34.99 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -76.64 -40.92 47.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.842 179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 68' ' ' GLU . 2.9 mt -62.8 -28.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -78.35 -52.63 8.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -67.25 -26.87 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -69.02 -45.85 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.8 tp -72.33 -34.39 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.5 m -97.84 28.52 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -54.42 47.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.3 -175.68 3.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.02 28.03 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -90.45 -63.98 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 35.1 m -43.74 144.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.626 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -118.55 -50.55 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -104.8 109.97 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.5 t -128.03 122.27 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.876 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.7 p90 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.762 0.315 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 59.3 Cg_endo -91.24 68.18 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.759 2.306 . . . . 0.0 112.559 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.23 178.99 9.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.84 111.54 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -103.79 136.12 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.26 141.35 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.759 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.416 ' CE2' HG21 ' A' ' 72' ' ' ILE . 74.5 m-85 -126.6 108.94 11.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.77 99.94 6.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.81 118.51 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.355 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -113.44 136.36 50.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.973 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.454 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -113.53 145.54 41.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.667 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.407 HG23 ' CD2' ' A' ' 54' ' ' PHE . 7.2 p -123.1 69.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.122 0.487 . . . . 0.0 110.708 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.49 167.83 21.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.44 -12.53 17.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.249 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -109.87 41.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 p -78.07 -4.84 49.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.293 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -50.08 -36.97 31.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.921 0.391 . . . . 0.0 111.036 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -70.7 -28.11 64.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -36.46 48.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -62.83 -31.49 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.76 -28.93 30.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.94 -36.9 67.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mt -77.54 -30.49 52.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.31 -4.91 53.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.381 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -53.18 -47.28 68.96 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.822 0.344 . . . . 0.0 111.223 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 62.36 33.76 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -62.26 -45.97 90.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -109.14 167.69 8.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.511 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 42.7 Cg_endo -67.77 63.89 0.89 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.562 2.175 . . . . 0.0 112.387 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -129.59 147.47 51.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.97 167.72 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.778 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mp -140.13 133.12 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 4.9 mt-10 -97.53 95.07 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -59.79 118.43 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.001 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.733 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 5.1 m-85 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.906 0.384 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -97.23 109.26 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.421 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.465 ' HA ' HD12 ' A' ' 21' ' ' ILE . 58.7 m -89.52 131.87 35.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.461 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 56' ' ' SER . 36.0 m-85 -147.86 131.8 17.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.476 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.409 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 1.2 t-20 -97.04 164.43 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.15 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.6 t -138.68 115.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.232 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -109.57 102.46 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.2 tpt -127.16 147.2 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.685 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -69.85 99.92 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.6 t -91.84 144.19 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.532 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -114.58 -25.42 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.67 -177.88 0.84 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.774 0.321 . . . . 0.0 111.005 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -54.5 -35.69 63.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.8 t -50.49 -52.91 34.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.027 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.503 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.6 mt-10 -64.88 -53.92 39.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.25 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -44.32 -38.93 4.21 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.263 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -67.97 -34.36 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.589 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' GLU . 22.2 tt0 -81.64 -35.23 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.5 mt -69.3 -29.31 41.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.004 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -75.91 -44.31 40.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.14 -28.26 67.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -74.16 -51.01 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.2 tp -66.28 -28.12 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.069 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.6 t -99.53 22.15 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -59.07 -54.43 47.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.31 176.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.27 30.51 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -45.55 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.733 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 28.8 m -51.33 126.11 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.36 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.2 t -121.71 -35.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -127.59 117.8 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.3 t -127.8 172.05 11.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.782 0.325 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.545 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.7 Cg_endo -89.48 68.57 2.21 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.623 2.215 . . . . 0.0 112.447 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.98 169.57 17.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.768 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.68 119.2 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -114.24 135.95 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -91.55 145.94 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.402 ' CE2' HG21 ' A' ' 72' ' ' ILE . 89.5 m-85 -124.97 104.83 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 99.89 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.64 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.9 t -117.74 123.19 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.499 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 56' ' ' SER . 1.6 mm -114.59 140.92 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.778 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.46 152.16 40.56 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.96 0.41 . . . . 0.0 110.794 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 t -129.46 69.59 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.535 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.81 158.32 43.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.073 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 -3.07 33.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.334 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.01 36.06 3.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.1 p -77.51 -4.9 47.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.463 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 p -51.87 -25.9 8.95 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.768 0.318 . . . . 0.0 111.247 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.7 t -81.93 -34.48 29.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.997 0.427 . . . . 0.0 110.506 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.6 tp -79.93 -37.79 33.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.938 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -29.09 70.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -83.85 -31.0 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 mt -72.15 -29.07 63.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 mt -90.16 -32.46 16.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -75.72 -24.69 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.257 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 t -56.77 -35.91 69.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.038 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 59.17 47.87 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.89 -60.93 3.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' HG3' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -93.27 164.8 20.06 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.34 79.55 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.659 2.239 . . . . 0.0 112.586 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CD2' ' HG3' ' A' ' 39' ' ' ARG . 46.0 p90 -140.08 168.83 18.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.774 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -140.11 166.81 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.739 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.22 130.45 25.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 2.5 mt-10 -98.26 94.91 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.552 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -59.7 115.14 3.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.792 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.757 179.864 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.848 0.356 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -88.55 109.17 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.477 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.503 ' HA ' HD12 ' A' ' 21' ' ' ILE . 69.7 m -98.11 130.98 44.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.217 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -149.11 130.43 14.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.705 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.412 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 1.3 t-20 -91.36 164.93 13.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.5 t -139.33 111.85 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.416 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.61 105.08 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.758 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tpt -123.8 153.52 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.917 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.67 99.9 4.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.2 t -88.23 137.04 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 6.0 m -113.4 -28.33 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.06 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.15 -166.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.056 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.69 -30.61 69.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.4 m -55.28 -50.82 68.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.754 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -68.09 -54.9 14.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.0 ttt85 -43.41 -35.33 1.54 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.456 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -77.09 -29.48 54.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.642 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' GLU . 20.7 tt0 -82.9 -34.67 26.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 68' ' ' GLU . 6.5 mt -69.68 -28.34 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.068 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.41 -45.99 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.231 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -67.19 -40.22 86.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 111.022 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.62 -50.3 73.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.5 tp -63.11 -35.77 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -99.21 26.62 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -40.63 90.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 173.14 8.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -105.96 29.8 6.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.046 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -98.35 -56.46 2.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.655 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.4 m -46.77 133.42 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.414 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.7 t -127.47 -38.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.136 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.92 107.15 16.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -110.39 169.46 8.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tt . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.879 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 91.3 Cg_endo -83.73 68.73 6.85 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.312 2.008 . . . . 0.0 112.139 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -139.28 170.87 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.309 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.3 115.57 17.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.765 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -111.27 141.29 44.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -97.65 146.8 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.756 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -129.42 107.05 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 99.91 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.9 t -112.27 120.13 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 56' ' ' SER . 1.8 mm -109.89 134.33 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.153 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.44 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.5 OUTLIER -112.18 145.85 39.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 p -120.53 69.95 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -144.29 165.24 28.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -102.2 -10.1 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.08 44.13 1.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.002 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.7 p -78.49 -4.97 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 m -50.58 -29.41 10.74 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.763 0.316 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 t -71.42 -30.06 65.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -46.15 16.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -58.52 -30.62 67.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -83.12 -27.54 30.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.82 -35.87 22.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.93 -29.06 60.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.35 -5.05 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.547 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.4 p -57.4 -46.62 83.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.751 0.31 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.418 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 4.9 m-85 60.3 35.79 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -62.91 -22.5 66.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -127.96 165.23 31.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.0 71.81 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.557 2.172 . . . . 0.0 112.623 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 27.5 p90 -140.1 157.09 46.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.724 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -136.68 165.7 25.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -140.05 131.06 26.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.0 OUTLIER -99.65 94.53 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.957 0.408 . . . . 0.0 110.513 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -59.62 118.25 5.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.874 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -98.14 109.3 22.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.542 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.451 ' HA ' HD11 ' A' ' 21' ' ' ILE . 19.4 m -88.43 126.75 35.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.215 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -136.46 137.69 40.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.785 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.431 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 3.1 m-20 -103.76 160.22 14.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 t -139.5 113.47 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.376 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.34 101.6 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.759 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 tpt -124.27 154.57 40.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -76.89 105.9 8.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 66.9 t -92.98 138.8 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 45.8 m -112.48 -29.14 7.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.82 -172.8 0.55 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -31.71 63.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -54.47 -53.43 54.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.522 ' O ' HG13 ' A' ' 72' ' ' ILE . 9.3 mm-40 -63.56 -51.8 63.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.438 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -45.12 -30.17 1.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.322 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -79.04 -33.09 45.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.694 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.3 tt0 -81.88 -37.85 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.624 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 68' ' ' GLU . 4.0 mt -68.88 -28.58 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -78.59 -49.4 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -70.5 -29.68 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -48.5 70.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.168 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 tp -67.79 -31.14 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.096 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 p -97.02 24.04 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -58.34 -42.8 87.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.3 mp -79.82 -178.98 6.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -110.24 29.64 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -96.87 -55.25 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.81 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 35.4 m -46.12 132.7 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.437 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.0 t -120.17 -42.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.04 131.18 56.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.688 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 t -132.23 148.3 52.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.837 0.351 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 92.3 Cg_endo -84.4 68.85 6.33 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.214 1.943 . . . . 0.0 112.147 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.7 p -138.29 169.1 18.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.02 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.12 118.29 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.731 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -118.42 136.98 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -92.32 151.35 20.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.648 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.425 ' CE2' HG23 ' A' ' 72' ' ' ILE . 85.1 m-85 -127.93 107.4 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.068 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 100.04 5.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.06 124.32 70.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.47 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 56' ' ' SER . 2.3 mm -111.71 128.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.701 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.521 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 2.8 mtm -110.79 138.9 46.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 p -118.21 69.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.586 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.44 153.88 42.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -99.3 28.19 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -144.61 39.99 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.764 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 p -77.02 -4.8 46.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.531 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.01 -26.82 6.61 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.831 0.348 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 t -77.28 -27.92 53.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.514 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -47.95 10.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -27.5 17.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.109 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -89.2 -32.78 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.05 -28.7 48.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.971 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.3 mt -84.87 -28.09 26.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -88.08 -18.47 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.36 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.0 t -51.76 -30.3 22.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.782 0.325 . . . . 0.0 111.031 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 62.21 41.95 10.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -59.52 -49.87 76.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -112.58 170.64 5.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.686 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 11.9 Cg_exo -71.09 60.29 2.38 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.716 2.277 . . . . 0.0 112.537 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 2.7 p90 -126.66 141.74 51.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.983 0.421 . . . . 0.0 110.851 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 3.3 tppt? -115.95 157.52 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.643 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD13 ' CE2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -129.91 127.44 40.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.42 90.96 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.654 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.72 109.98 1.04 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.97 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.6 p90 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 120.797 0.332 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.85 109.29 22.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.761 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 21' ' ' ILE . 18.4 m -72.27 132.49 44.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.478 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -142.77 142.88 32.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.1 161.44 14.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.5 t -143.01 109.97 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -104.42 114.29 28.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.513 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.5 tpt -134.29 152.75 51.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.007 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.0 100.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 57.8 t -89.9 138.88 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -107.31 -31.15 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.817 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.74 -177.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -30.47 22.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -55.0 -53.83 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.74 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.524 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -65.9 -51.05 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.453 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -43.82 -31.85 0.93 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.65 -33.01 41.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.788 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' GLU . 9.6 tt0 -80.67 -37.81 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.9 mt -68.74 -29.16 42.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.07 -47.97 19.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.246 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -71.95 -30.84 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -68.67 -42.07 78.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.077 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.0 tp -72.48 -34.39 48.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 m -97.76 28.15 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -51.94 67.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.93 -176.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.97 30.85 6.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -96.68 -52.55 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.521 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.5 m -50.37 140.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.502 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.5 t -130.9 -42.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.009 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -113.62 106.4 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.1 p -109.88 148.96 30.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.2 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.919 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 CA--C 1.524 -0.042 0 CA-C-O 120.842 0.353 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.9 Cg_endo -88.28 69.1 3.02 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.557 2.171 . . . . 0.0 112.214 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 p -133.58 -171.99 2.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.865 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.24 107.09 19.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -107.12 148.9 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -101.38 162.02 13.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CE2' HG23 ' A' ' 72' ' ' ILE . 93.1 m-85 -134.47 104.72 6.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -80.14 99.81 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.675 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.4 t -117.46 126.48 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.402 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.5 mm -112.85 129.93 67.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.445 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 1.2 mtt -115.19 143.58 45.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.741 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.417 ' CG2' ' CD2' ' A' ' 54' ' ' PHE . 6.1 p -120.81 69.84 0.89 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 m -138.42 149.22 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -96.65 22.94 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -137.68 41.23 2.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.977 0.418 . . . . 0.0 110.472 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -71.53 -8.71 55.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.485 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 33.1 t -50.18 -33.15 18.25 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -76.6 -28.66 56.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.345 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 2.7 tp -80.78 -41.94 22.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.76 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 6.4 ptpt -60.3 -21.87 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.23 -33.46 16.16 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.386 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 30' ' ' LEU . 2.2 pp -81.58 -23.04 37.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.228 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.77 -28.56 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -89.93 -4.77 57.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.431 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.1 t -47.08 -33.55 5.06 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.752 0.31 . . . . 0.0 111.246 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.24 39.34 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -60.97 -55.57 31.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 1.4 ptt85 -112.11 166.88 10.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.649 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 35.2 Cg_endo -65.08 75.1 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.443 2.096 . . . . 0.0 112.391 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -139.18 162.7 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.05 162.75 34.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.763 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.27 128.45 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -96.99 93.6 6.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.76 109.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.807 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.901 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CD2' ' CG2' ' A' ' 23' ' ' THR . 2.3 m-85 . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.897 0.38 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -96.05 109.38 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.442 ' HA ' HD12 ' A' ' 21' ' ' ILE . 70.6 m -77.69 134.68 38.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.473 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -141.96 138.68 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.706 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -108.77 157.6 18.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -138.78 114.89 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 112.83 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.7 tpt -137.37 145.4 43.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -69.97 103.84 2.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 92.1 t -89.66 141.78 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.5 m -110.66 -31.24 7.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.775 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.39 179.86 4.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -30.94 63.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -53.8 28.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.542 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -67.15 -50.86 59.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -41.86 -38.88 1.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.531 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -74.58 -34.06 62.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.684 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.3 tt0 -76.35 -41.25 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.016 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.0 mt -63.6 -28.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.054 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -51.28 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.167 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -27.09 68.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -74.74 -44.14 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.8 tp -71.04 -35.43 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.1 m -100.22 26.89 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -53.3 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.84 -179.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.02 31.42 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.76 -47.13 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.8 m -53.38 141.89 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.391 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.1 t -127.3 -46.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -121.05 106.77 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 p -87.92 154.24 20.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.723 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.966 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.753 0.311 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 57.8 Cg_endo -91.67 68.41 1.03 Allowed 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.826 2.351 . . . . 0.0 112.539 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.6 169.0 18.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.24 108.85 4.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -106.06 137.4 44.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.91 150.31 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.415 ' CE2' HG21 ' A' ' 72' ' ' ILE . 69.0 m-85 -129.13 110.01 11.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -76.35 101.97 5.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.0 t -123.72 124.89 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.377 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.5 mm -113.89 140.38 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.402 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -115.56 148.32 39.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.52 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -126.39 69.47 1.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.669 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.35 149.3 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -15.06 40.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.289 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -109.66 45.0 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.5 p -77.82 -4.91 48.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.37 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -52.53 -30.65 31.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -71.11 -27.21 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -44.41 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -56.39 -30.62 62.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -85.35 -28.2 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.03 -38.55 27.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.5 mt -71.93 -30.6 65.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.26 -13.14 60.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.391 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.4 p -55.78 -44.47 77.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 58.8 38.93 24.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.25 -31.51 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.19 167.57 12.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.88 65.35 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.427 2.084 . . . . 0.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -134.17 152.87 52.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -132.24 169.31 16.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.79 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mp -139.94 129.58 24.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.4 94.91 6.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.53 109.91 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.578 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.172 -179.705 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.874 0.368 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -87.16 109.2 19.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 21' ' ' ILE . 23.7 m -90.0 127.91 36.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.008 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -143.46 126.29 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -88.98 162.0 16.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.746 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 t -138.52 110.78 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.456 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -103.45 99.95 9.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.518 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 ttt -120.27 152.56 37.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.71 99.91 2.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.86 138.66 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 23.6 t -109.22 -28.02 9.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.787 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.48 -171.07 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.0 -37.69 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.4 m -49.46 -55.14 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.276 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.51 ' O ' HG13 ' A' ' 72' ' ' ILE . 4.9 mm-40 -62.05 -52.53 63.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.5 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -41.76 -50.21 4.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.548 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -61.2 -32.48 72.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.391 . . . . 0.0 110.654 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.5 tt0 -78.61 -41.3 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.834 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.0 mt -65.05 -25.7 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.421 ' CZ ' ' HB ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -77.3 -39.19 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.196 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.15 -36.61 47.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.068 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -62.13 -49.07 77.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.067 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 tp -66.8 -31.07 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 t -97.25 23.78 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -51.7 68.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.58 -178.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -110.63 30.86 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.05 -61.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.792 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 18.7 m -46.34 133.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.547 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.3 t -128.48 -37.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -93.92 130.9 39.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.421 ' HB ' ' CZ ' ' A' ' 73' ' ' PHE . 72.9 p -132.52 118.02 18.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.783 0.325 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.539 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.8 Cg_endo -88.01 68.25 3.33 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.56 2.173 . . . . 0.0 112.449 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.03 168.45 21.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -69.91 120.98 16.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -114.86 138.99 50.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -93.37 148.99 21.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 72' ' ' ILE . 95.1 m-85 -129.76 110.86 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.64 99.82 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.595 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.19 124.12 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.373 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 56' ' ' SER . 1.5 mm -115.4 131.07 68.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.092 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.441 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -111.84 145.41 39.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.759 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 p -120.72 69.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.076 0.465 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -144.16 150.26 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 26.74 4.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.033 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -139.43 37.61 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p -74.52 -6.65 49.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.566 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.1 m -52.68 -25.8 11.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.828 0.346 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -83.68 -33.55 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.352 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 tp -80.43 -34.69 35.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.863 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -29.92 70.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.14 -28.58 27.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.853 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -28.84 56.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -86.35 -29.11 23.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.17 -8.88 59.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.565 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -58.07 -38.91 77.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 8.2 m-85 57.79 45.2 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -62.1 -42.15 98.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.751 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' PHE . 15.2 ptp180 -119.73 167.17 12.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.579 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.34 75.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.674 2.249 . . . . 0.0 112.572 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 37' ' ' TYR . 13.3 p90 -140.06 147.14 39.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.638 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -131.34 164.02 26.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mp -140.31 129.94 24.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 2.0 mt-10 -97.57 94.19 6.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.0 0.428 . . . . 0.0 110.387 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -59.47 111.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.925 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 120.994 0.426 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -105.21 109.08 20.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.426 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.487 ' HA ' HD11 ' A' ' 21' ' ' ILE . 48.5 t -91.38 122.77 34.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.173 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -138.24 128.84 26.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.419 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 2.4 m-20 -89.53 160.75 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.7 t -141.05 116.19 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 111.67 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.59 125.22 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.372 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.7 tpt -146.39 150.5 35.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.892 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -72.68 99.99 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.5 t -91.56 141.15 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.0 t -113.42 -29.9 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.049 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.41 -176.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.157 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -29.97 50.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.41 -51.53 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.807 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' O ' HG13 ' A' ' 72' ' ' ILE . 12.1 mm-40 -65.86 -49.96 66.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.469 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.82 -30.29 0.95 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.372 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -83.39 -30.26 27.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' GLU . 4.8 tt0 -83.09 -36.77 24.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 68' ' ' GLU . 4.2 mt -72.51 -30.87 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -76.87 -43.55 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -70.05 -36.88 75.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -61.04 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.2 tp -56.43 -32.06 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.66 22.35 13.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.775 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -32.0 63.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 0.0 110.752 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.27 -175.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.27 20.92 11.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -36.2 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.746 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 19.1 m -56.45 132.85 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -122.42 -40.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -115.02 133.9 55.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -141.11 139.17 33.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.5 tp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.002 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 94.0 Cg_endo -82.76 62.59 7.83 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.341 2.027 . . . . 0.0 112.162 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.45 173.95 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.146 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 122.32 24.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -119.81 141.46 49.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.8 153.43 21.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CE2' HG21 ' A' ' 72' ' ' ILE . 65.6 m-85 -131.12 104.45 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.092 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -72.42 103.28 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.621 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.1 t -121.91 125.81 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.455 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 56' ' ' SER . 1.5 mm -114.91 137.94 46.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.481 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -117.07 145.44 43.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.926 0.393 . . . . 0.0 110.761 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 p -124.57 69.59 1.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.624 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -130.34 154.87 47.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -98.98 28.62 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.834 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -162.09 47.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.728 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -74.31 -7.15 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.426 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.2 p -49.06 -29.43 5.08 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -76.86 -40.94 45.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.7 tp -75.26 -31.64 60.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.811 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -61.97 -39.08 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -75.98 -29.31 58.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -71.1 -29.23 65.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mt -90.0 -32.12 16.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.87 -5.21 55.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.507 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t -73.83 -32.55 63.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.756 0.312 . . . . 0.0 111.01 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 60.73 46.77 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -58.46 -30.08 66.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 3.7 ptp85 -131.13 170.57 10.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.737 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 16.6 Cg_exo -68.2 62.28 1.04 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.647 2.231 . . . . 0.0 112.625 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CE2' HD11 ' A' ' 43' ' ' LEU . 6.7 p90 -132.33 141.58 49.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.889 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.82 169.86 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD11 ' CE2' ' A' ' 41' ' ' PHE . 2.1 mp -140.13 129.28 23.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -97.65 93.42 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.6 m-30 -59.85 123.7 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -97.09 109.38 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.496 ' HA ' HD13 ' A' ' 21' ' ' ILE . 45.1 m -96.65 120.21 36.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.96 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -137.3 140.04 41.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.67 162.73 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.673 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -139.15 113.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.408 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.86 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.4 ttt -139.23 153.94 47.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.91 124.04 23.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.935 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -114.27 138.57 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.96 0.41 . . . . 0.0 111.222 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -107.39 -30.27 8.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.59 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.15 -176.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.791 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.5 -28.6 13.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.189 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -57.27 12.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.537 ' O ' HG13 ' A' ' 72' ' ' ILE . 6.0 mm-40 -65.27 -50.8 64.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -40.8 3.17 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.483 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -71.92 -31.42 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.6 tt0 -80.3 -35.82 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.016 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.8 mt -68.66 -28.75 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.724 0.297 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -48.64 12.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.315 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -35.64 80.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.123 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -67.52 -48.87 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.5 tp -64.18 -31.85 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -99.17 24.05 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -65.49 -43.67 89.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.4 -179.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -111.15 31.98 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -54.96 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.79 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 19.8 m -49.88 125.88 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.419 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.3 t -120.4 -36.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.202 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -118.81 106.05 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.9 p -115.43 151.25 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.833 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.907 0.384 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.527 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 59.7 Cg_endo -91.11 68.2 1.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.898 2.399 . . . . 0.0 112.439 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.5 m -149.04 173.83 12.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.73 115.07 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -111.1 126.91 55.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -83.63 149.61 26.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.607 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' A' ' 72' ' ' ILE . 86.0 m-85 -130.77 100.86 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.052 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.76 101.54 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.436 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.4 t -116.07 121.95 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.494 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -109.3 133.16 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.45 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -114.43 143.63 44.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.883 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.8 p -121.73 69.37 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.6 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.98 147.08 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -86.31 2.98 45.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.373 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.69 38.64 2.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.2 p -76.08 -6.28 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.392 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 p -55.84 -43.98 77.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.769 0.319 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.6 t -69.24 -33.98 74.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.406 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 35.9 tp -77.82 -31.08 51.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.62 -21.68 61.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.28 -28.76 18.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.367 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' CD2' ' HA ' ' A' ' 30' ' ' LEU . 3.0 pp -83.19 -20.91 33.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.492 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.7 mt -84.1 -32.88 24.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -84.32 -4.86 59.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.494 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -53.16 -34.06 55.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.805 0.336 . . . . 0.0 111.229 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 58.03 46.78 15.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -69.28 -40.64 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.041 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.63 169.27 12.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.741 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.88 72.61 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.797 2.332 . . . . 0.0 112.437 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -140.13 141.54 36.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 165.44 18.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.799 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.62 132.46 39.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -100.8 92.11 4.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -59.8 110.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.734 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.118 -179.709 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 CA--C 1.522 -0.099 0 CA-C-O 120.845 0.355 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -98.13 109.08 21.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.489 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.464 ' HA ' HD13 ' A' ' 21' ' ' ILE . 71.4 m -87.07 136.26 32.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.359 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -149.19 120.3 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.602 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -87.75 157.73 18.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.967 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -139.54 110.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.53 108.47 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.9 ttt -132.05 152.32 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.39 117.47 16.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.9 t -108.86 144.94 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -114.8 -31.65 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.23 -176.86 2.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -54.99 -30.21 58.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -56.21 14.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.6 mt-10 -64.47 -48.8 73.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.538 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -44.46 -34.52 2.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.367 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -79.22 -30.88 43.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.3 tt0 -81.66 -36.63 28.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.2 mt -69.48 -29.74 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.248 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -54.73 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -59.36 -30.01 68.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.097 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -70.96 -53.14 15.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.9 tp -64.55 -36.58 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -99.23 27.36 5.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -63.5 -55.17 26.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.42 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -116.92 52.21 0.96 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.0 -58.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 34.9 m -44.18 143.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.685 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.9 t -122.85 -49.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.185 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.31 128.82 37.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 p -136.28 120.32 17.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.955 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.803 0.335 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.515 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.9 Cg_endo -89.35 68.2 2.32 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.732 2.288 . . . . 0.0 112.583 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.25 163.25 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 120.05 15.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -116.08 140.43 49.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.97 151.08 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.421 ' CE2' HG23 ' A' ' 72' ' ' ILE . 72.7 m-85 -130.87 103.16 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.993 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -70.95 103.92 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.85 120.53 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.511 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 56' ' ' SER . 2.9 mm -115.62 138.27 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.745 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.41 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.9 153.21 36.2 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.003 0.43 . . . . 0.0 110.762 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -131.16 69.11 1.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.285 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.94 150.79 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.142 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -98.32 26.35 5.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -139.2 39.86 2.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 p -76.03 -5.18 45.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.464 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -52.14 -26.36 11.17 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.801 0.334 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -80.94 -30.89 35.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 tp -82.79 -41.69 18.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -30.48 64.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -85.46 -31.22 22.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.787 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -76.59 -28.07 56.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -87.74 -36.45 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -75.54 -7.32 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.339 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.5 t -58.97 -37.39 76.69 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.799 0.333 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 59.8 47.73 9.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -61.47 -59.33 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER -107.98 170.8 5.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.526 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.401 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 29.1 Cg_exo -62.36 74.8 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.612 2.208 . . . . 0.0 112.344 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -140.03 146.64 39.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.878 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.05 169.98 16.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.762 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.88 139.13 36.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -100.58 97.05 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.439 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -59.79 115.59 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.033 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -92.45 109.13 20.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.445 ' HA ' HD11 ' A' ' 21' ' ' ILE . 72.2 m -89.1 128.88 35.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.289 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -145.05 126.01 14.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.673 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.421 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 3.7 t-20 -91.16 161.49 15.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.905 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.36 120.32 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.281 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.04 113.24 25.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.627 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.0 ttt -134.17 150.83 51.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.082 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.19 107.07 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -95.73 139.51 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.515 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -110.65 -27.86 8.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.875 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -178.18 1.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -54.98 -36.73 65.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -48.15 -52.12 22.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.539 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.6 mt-10 -64.79 -50.13 67.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.564 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -35.93 1.62 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.219 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.07 -31.7 56.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.738 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' GLU . 28.8 tt0 -80.02 -38.44 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.924 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.6 mt -68.61 -26.92 34.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.349 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -80.25 -41.24 25.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.415 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -74.31 -38.44 63.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.079 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' A' ' 72' ' ' ILE . 5.6 ptpt -64.2 -41.8 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.162 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.5 tp -69.51 -38.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.067 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.8 p -99.08 28.71 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -37.68 84.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.47 -175.8 2.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.7 30.43 7.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.063 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -98.87 -58.03 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.77 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 35.8 m -48.02 129.26 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.541 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.09 -36.93 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.068 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -109.86 106.88 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 p -120.65 153.69 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.857 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 N--CA 1.461 0.09 0 CA-C-O 120.857 0.36 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 60.1 Cg_endo -91.49 68.45 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.809 2.339 . . . . 0.0 112.524 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -143.41 163.2 33.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 118.73 17.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.4 t-105 -114.82 144.24 43.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -92.74 152.33 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -132.31 101.42 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.72 99.96 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.638 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.8 t -116.06 126.54 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.257 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 56' ' ' SER . 1.8 mm -110.4 138.16 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.438 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -116.65 145.51 43.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.714 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 p -122.17 69.8 0.96 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.814 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -132.58 156.97 45.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 27.7 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.42 49.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -70.91 -9.8 58.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.501 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -51.14 -26.44 6.68 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.861 0.362 . . . . 0.0 111.08 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.4 t -75.99 -28.59 57.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.595 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.34 -45.0 18.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.664 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -57.08 -22.93 43.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 1.4 pt-20 -90.2 -30.73 17.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 30' ' ' LEU . 1.7 pp -87.15 -23.11 24.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.074 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.8 mt -85.94 -28.24 24.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -90.06 -4.9 57.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.579 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -59.49 -40.28 86.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.695 0.283 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 58.13 44.43 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.074 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -56.63 -38.71 72.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.443 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -125.55 171.18 8.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.332 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.443 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 27.3 Cg_exo -63.08 71.37 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.0 112.526 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 39' ' ' ARG . 19.2 p90 -137.8 142.11 40.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -122.11 169.52 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.14 139.04 35.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.043 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -105.05 91.76 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.456 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.83 118.01 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.047 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.719 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -88.45 109.5 20.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.486 ' HA ' HD13 ' A' ' 21' ' ' ILE . 9.3 t -87.31 135.09 33.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 56' ' ' SER . 26.8 m-85 -147.6 130.81 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.08 162.65 13.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.11 112.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.425 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.87 110.81 23.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.2 tpt -133.83 154.37 51.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -74.89 105.69 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -94.69 139.07 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.9 m -112.52 -29.1 7.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.5 -176.81 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.915 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -56.8 -37.27 70.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.36 -50.95 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.504 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.8 mt-10 -67.2 -52.74 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -44.32 -31.14 0.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.338 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -80.01 -32.39 39.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -82.18 -34.97 28.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.741 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 68' ' ' GLU . 4.0 mt -70.21 -29.65 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.171 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.97 -45.62 16.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.074 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.6 -39.71 77.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -60.62 -49.41 77.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.9 tp -65.41 -35.54 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -99.85 26.48 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -67.85 -36.83 81.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.46 -177.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -112.42 30.96 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -102.55 -48.35 4.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.438 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 31.3 m -53.08 139.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.384 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.4 t -128.34 -43.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.997 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.84 126.51 53.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.3 p -117.13 143.99 45.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.821 0.343 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 61.2 Cg_endo -90.48 65.76 1.68 Allowed 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.744 2.296 . . . . 0.0 112.474 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.0 m -143.8 -178.74 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.038 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.35 113.51 22.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.007 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -103.55 156.39 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -111.96 154.39 25.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -137.04 121.63 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.148 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 tpp85 -88.29 99.59 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.1 t -115.01 129.47 71.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.653 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 56' ' ' SER . 3.0 mm -118.04 141.94 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.679 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.482 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 2.7 mtt -118.81 141.42 48.65 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 111.052 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 p -120.77 69.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.646 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 m -142.88 152.02 41.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -98.99 28.14 4.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -150.02 47.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.6 p -76.47 -5.04 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.425 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -27.87 6.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.84 0.353 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -77.55 -29.0 52.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.727 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.55 -43.92 18.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.946 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -32.21 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -86.81 -29.2 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.8 -33.6 52.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.2 mt -83.94 -33.45 24.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -77.4 -4.97 48.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.422 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.0 t -57.44 -37.73 73.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.876 0.369 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 41' ' ' PHE . 6.7 m-85 58.98 46.96 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -57.8 -45.68 85.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.651 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -121.2 167.2 13.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.489 179.651 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 23.5 Cg_endo -61.8 75.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.48 2.12 . . . . 0.0 112.55 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 39' ' ' ARG . 23.6 p90 -140.08 158.09 44.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -140.07 167.56 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.366 . . . . 0.0 111.069 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -135.89 129.71 32.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.783 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.84 96.82 9.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.888 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -59.8 120.81 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.995 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.852 0.358 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -95.37 109.3 21.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.66 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.472 ' HA ' HD13 ' A' ' 21' ' ' ILE . 14.6 t -78.42 135.82 37.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.138 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -142.09 124.56 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.716 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -91.68 165.69 13.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.6 t -141.37 138.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.063 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 m -135.93 113.05 10.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.63 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.06 167.23 23.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.165 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -85.67 133.06 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.5 t -122.81 140.77 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 31.5 t -113.46 -25.39 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.349 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.37 -175.35 0.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.876 0.369 . . . . 0.0 111.117 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -33.93 68.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -51.16 -57.2 9.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.4 mt-10 -61.82 -52.17 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.076 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.57 -52.91 4.62 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.468 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.84 -30.06 67.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -37.75 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 68' ' ' GLU . 4.0 mt -68.0 -30.55 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.02 -57.58 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.091 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.15 -29.64 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.8 -56.67 10.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.8 tp -62.55 -31.09 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m -97.43 22.52 8.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -60.54 -52.31 65.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.8 172.2 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -108.88 32.63 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -105.69 -55.69 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.794 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 34.8 m -44.45 135.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.595 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -119.33 -45.39 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -97.21 120.34 37.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -123.31 132.34 53.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.007 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.547 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.5 Cg_endo -89.15 68.43 2.42 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.543 2.162 . . . . 0.0 112.58 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.03 165.11 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.824 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 109.85 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -106.02 138.12 42.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.07 151.42 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.421 ' CE2' HG21 ' A' ' 72' ' ' ILE . 95.2 m-85 -128.85 103.79 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.039 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 100.12 4.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.499 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.3 t -121.15 126.1 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.573 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 56' ' ' SER . 1.8 mm -111.05 141.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.439 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -118.92 141.6 48.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.587 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.78 69.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.464 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 m -136.56 152.37 50.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.209 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -88.81 -14.15 37.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.222 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.97 49.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 110.921 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 p -77.51 -5.0 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.418 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -26.05 36.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.825 0.345 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 t -80.44 -33.48 36.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.412 . . . . 0.0 110.505 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 tp -80.74 -40.84 24.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -30.42 69.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -83.7 -29.65 27.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mp -72.17 -37.23 69.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.748 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mt -76.02 -31.75 59.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.1 -8.11 55.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.361 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.8 p -58.6 -44.92 90.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 111.035 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 56.18 35.44 25.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.22 -31.33 71.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -116.67 170.68 5.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.721 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 64.9 Cg_endo -74.03 59.02 4.33 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.519 2.146 . . . . 0.0 112.236 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -121.96 153.28 38.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -128.67 165.46 20.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -140.0 130.97 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -100.58 90.4 4.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.98 109.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.896 0.379 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -86.64 109.26 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.647 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.48 ' HA ' HD12 ' A' ' 21' ' ' ILE . 72.8 m -89.6 123.27 33.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -137.11 130.3 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.5 163.1 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 t -140.16 111.71 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.236 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.0 m -105.39 108.66 20.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.5 tpt -131.13 154.81 47.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.61 100.52 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.4 HG21 ' CD1' ' A' ' 72' ' ' ILE . 43.9 t -90.01 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 7.5 t -113.86 -28.73 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.09 -169.0 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.036 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.75 -36.41 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -51.7 -51.66 54.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.3 mt-10 -68.05 -53.08 28.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -31.36 0.93 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.373 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.67 -31.23 36.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.745 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.7 tt0 -81.9 -36.83 27.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 68' ' ' GLU . 4.4 mt -69.88 -30.58 44.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -77.36 -43.63 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.039 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -69.31 -30.34 68.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -67.59 -42.71 82.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.4 tp -71.39 -30.94 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.965 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t -99.5 26.34 6.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.769 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -35.52 78.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -176.89 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.27 29.77 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -98.59 -61.39 1.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 31.1 m -45.42 134.93 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.532 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.0 t -127.69 -39.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.7 132.3 46.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.9 p -140.59 137.93 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.964 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.738 0.304 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.529 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 61.0 Cg_endo -90.57 68.43 1.54 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.724 2.283 . . . . 0.0 112.536 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.38 174.34 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.794 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 61' ' ' MET . 0.2 OUTLIER -79.19 120.92 24.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -112.58 161.21 17.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.7 141.79 47.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.43 ' CE2' ' CE ' ' A' ' 61' ' ' MET . 46.6 m-85 -127.01 116.44 20.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.148 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 100.21 8.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.531 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.415 ' HB ' ' CZ ' ' A' ' 57' ' ' PHE . 21.7 t -110.85 125.24 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.418 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 56' ' ' SER . 1.3 mm -113.92 135.53 53.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.41 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.46 143.77 47.34 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.975 0.417 . . . . 0.0 110.581 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.44 69.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.448 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -132.68 152.39 51.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.65 26.58 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -150.14 48.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.645 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -75.5 -5.66 46.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.52 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -53.36 -27.21 22.51 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.88 0.371 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -81.18 -32.55 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.393 . . . . 0.0 110.382 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.5 tp -81.0 -42.51 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -34.8 62.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.01 -31.05 31.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.824 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.06 -25.59 43.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -88.26 -30.49 19.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.02 -11.06 48.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.358 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -56.45 -34.87 67.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 58.34 48.02 13.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -56.75 -47.52 79.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.766 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -112.93 167.19 9.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 35.4 Cg_endo -65.27 73.19 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.505 2.136 . . . . 0.0 112.432 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.407 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 27.9 p90 -140.02 160.91 38.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -136.09 157.96 45.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -130.19 120.71 24.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -96.43 89.85 5.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.663 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.23 136.58 58.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.424 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.957 -179.899 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.942 0.401 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -93.92 109.37 21.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.647 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.517 ' HA ' HD13 ' A' ' 21' ' ' ILE . 36.8 m -99.64 130.53 45.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.374 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CZ ' ' HB ' ' A' ' 20' ' ' VAL . 26.5 p90 -144.8 169.88 17.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.05 164.1 17.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.055 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -136.35 109.86 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -106.66 110.52 22.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.724 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.43 ' CE ' ' CE2' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -140.55 171.93 13.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.85 133.38 37.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 63.1 t -130.83 139.78 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 62.2 m -112.75 -29.28 7.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -175.58 -176.07 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.067 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -29.61 37.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -55.35 20.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.561 ' O ' HG13 ' A' ' 72' ' ' ILE . 4.2 mt-10 -63.76 -50.35 69.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.36 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -44.71 -32.1 1.4 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.37 -31.65 48.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.4 tt0 -82.48 -34.97 27.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 68' ' ' GLU . 5.1 mt -71.49 -25.96 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.269 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -42.29 23.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.323 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -24.92 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.19 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -49.66 21.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.057 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.4 tp -68.3 -29.69 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.944 0.402 . . . . 0.0 111.144 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 t -99.57 24.56 8.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.769 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -59.49 -36.84 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.71 -176.8 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -110.23 37.16 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.004 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -98.33 -61.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 30.8 m -46.37 135.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.608 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.0 t -129.41 -39.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.145 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.79 105.26 11.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -119.11 154.29 33.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.965 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.882 0.372 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.2 Cg_endo -88.65 68.4 2.8 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.666 2.244 . . . . 0.0 112.472 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.05 164.76 29.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.18 117.27 14.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -115.0 133.51 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.04 153.43 21.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -131.57 105.52 7.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.155 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.07 101.6 4.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 t -120.1 126.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.434 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 56' ' ' SER . 1.7 mm -112.43 144.87 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.753 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.5 mtt -121.11 141.52 50.72 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.838 0.351 . . . . 0.0 110.509 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -124.43 69.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -139.22 155.31 47.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.32 28.61 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.84 31.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.3 p -71.15 -10.33 59.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.348 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.4 p -49.25 -32.27 10.38 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.749 0.309 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -64.11 -30.09 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -39.16 56.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.679 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -54.05 -25.84 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.043 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.1 -41.38 15.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.061 0.457 . . . . 0.0 110.419 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.31 -30.82 66.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 mt -82.73 -34.16 27.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -75.26 -8.14 55.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.537 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.1 p -51.07 -48.35 61.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.418 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m-85 61.75 31.67 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -56.82 -37.36 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.68 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.558 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 6.4 ptt85 -117.76 163.18 25.37 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.077 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.558 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 28.7 Cg_endo -63.04 70.48 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.374 2.049 . . . . 0.0 112.483 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 37' ' ' TYR . 12.3 p90 -133.15 142.82 48.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.72 165.33 20.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.001 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.73 132.11 32.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -101.06 93.09 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.621 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' A' ' 57' ' ' PHE . 3.4 m-85 -59.68 119.7 8.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.015 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.902 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.815 0.341 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -82.02 109.15 16.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.691 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.493 ' HA ' HD11 ' A' ' 21' ' ' ILE . 46.4 m -91.1 123.42 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CD2' ' CD1' ' A' ' 45' ' ' PHE . 19.4 m-85 -136.54 139.0 41.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 21.8 m-80 -102.58 160.47 14.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.801 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.4 112.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.252 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.81 110.31 22.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.9 tpt -131.81 152.33 51.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -76.06 106.74 7.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.6 t -94.54 141.29 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.526 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.1 m -110.22 -30.42 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.99 -177.21 1.85 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.836 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.55 -33.91 60.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.34 -55.63 17.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.524 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.1 mt-10 -60.39 -50.4 73.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.453 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -45.27 -30.45 1.24 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -79.16 -31.32 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.744 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.6 tt0 -84.85 -33.06 22.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.772 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 68' ' ' GLU . 5.2 mt -74.99 -28.8 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -79.71 -37.37 35.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -78.67 -28.09 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.029 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -69.32 -46.26 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.0 tp -68.8 -37.26 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.4 28.52 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.09 -35.8 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mp -82.18 -177.34 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.25 -21.31 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -63.92 0.96 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.9 m -45.73 147.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.449 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.7 t -132.19 -48.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.008 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -94.04 122.84 36.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -144.9 99.87 3.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.7 tp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.852 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 p90 . . . . . 0 CA--C 1.524 -0.046 0 CA-C-O 120.897 0.38 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.533 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 57.9 Cg_endo -89.09 68.93 2.42 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.598 2.199 . . . . 0.0 112.265 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.3 p -138.35 167.92 20.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.72 109.69 14.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -107.89 142.46 37.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.19 155.22 17.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.683 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.41 ' CE2' HG23 ' A' ' 72' ' ' ILE . 89.5 m-85 -136.53 107.43 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 101.05 7.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 t -114.05 118.55 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 56' ' ' SER . 2.4 mm -102.61 131.98 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.073 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.446 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -110.68 144.78 39.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.853 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 p -119.42 70.01 0.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.975 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.54 156.57 44.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 -15.68 20.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.247 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -111.12 46.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.961 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.5 p -77.81 -4.98 49.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.346 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 m -50.81 -33.69 24.55 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -74.35 -30.83 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.736 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 47.1 tp -82.21 -35.97 27.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -71.08 -20.28 62.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -90.11 -31.0 17.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.08 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 30' ' ' LEU . 2.0 pp -80.71 -21.27 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.2 mt -84.08 -30.06 26.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -83.55 -9.6 58.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.388 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -54.04 -28.83 41.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.825 0.345 . . . . 0.0 111.024 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 61.89 43.36 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -29.59 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.724 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -137.64 167.47 20.34 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.517 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 32.9 Cg_endo -64.65 70.94 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.527 2.151 . . . . 0.0 112.578 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 26.4 p90 -140.1 151.61 45.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.87 166.59 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.761 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.14 124.04 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.824 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.8 mm-40 -96.92 93.7 6.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.363 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.56 117.57 5.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.915 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -109.25 109.27 20.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 70.5 m -81.83 132.17 35.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.171 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -140.28 142.19 35.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.749 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.426 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 4.4 m120 -108.55 158.12 17.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.7 t -136.89 109.98 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.339 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.09 106.81 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.43 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ttt -135.18 150.02 50.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.009 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -79.89 99.86 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 52.0 t -81.18 145.05 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.815 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 22.7 t -114.67 -30.82 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.05 -171.08 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.982 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.12 -30.68 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 m -58.21 -52.48 65.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.506 ' O ' HG13 ' A' ' 72' ' ' ILE . 7.4 mm-40 -64.57 -52.83 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -42.9 -40.24 2.86 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.445 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.49 -34.17 73.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.1 tt0 -78.65 -38.61 39.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.5 mt -65.91 -27.23 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.0 -47.38 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.255 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -27.27 65.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.204 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -76.88 -43.09 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.024 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.2 tp -68.52 -34.93 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.378 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.9 t -99.56 27.15 5.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.834 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -67.21 -31.76 72.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.57 -175.67 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.95 29.32 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -58.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.6 m -50.52 136.95 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.468 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.81 -43.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -120.27 126.84 51.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.0 p -119.36 159.36 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.8 tp . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.891 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.916 0.388 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 66.7 Cg_endo -87.01 68.31 4.13 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.656 2.237 . . . . 0.0 112.401 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -141.1 161.97 36.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.6 116.88 12.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -114.07 138.59 50.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.13 155.9 19.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -138.88 101.52 4.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.88 106.32 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.573 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.6 t -122.45 126.09 73.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.5 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 56' ' ' SER . 1.2 mm -114.51 142.27 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.813 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.474 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 3.8 mtt -118.18 142.9 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.514 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -122.29 69.63 0.96 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.751 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.13 154.1 42.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.33 27.25 4.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.949 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.72 38.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.1 p -76.28 -5.11 45.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.419 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -49.99 -31.25 12.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -67.94 -44.88 75.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.758 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.1 tp -77.07 -32.59 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' CE ' ' CZ ' ' A' ' 57' ' ' PHE . 15.4 mtpt -70.02 -21.45 63.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.15 -28.26 19.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.348 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.66 -26.3 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.266 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.07 -20.55 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.197 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -27.66 21.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.251 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 t -54.34 -23.75 16.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.446 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 66.06 42.77 3.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -54.43 -43.76 71.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' HG3' ' CE1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -111.11 170.19 5.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.59 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 59.0 Cg_endo -72.42 61.67 3.49 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.436 2.091 . . . . 0.0 112.406 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.437 ' CE1' ' HG3' ' A' ' 39' ' ' ARG . 7.9 p90 -133.48 147.21 51.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -116.1 169.45 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -140.24 132.05 27.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 7.9 mt-10 -99.21 93.77 6.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.971 0.415 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -59.73 130.4 46.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.962 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.665 0.269 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -80.22 109.16 14.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.553 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.495 ' HA ' HD13 ' A' ' 21' ' ' ILE . 22.9 t -92.13 128.33 37.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.273 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CZ ' ' CE ' ' A' ' 31' ' ' LYS . 35.5 m-85 -145.78 133.94 21.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.576 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 4.3 t-20 -96.6 162.72 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.07 109.97 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.22 101.82 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.501 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.2 ttt -123.78 144.92 49.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.005 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.44 100.01 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.1 t -85.55 141.64 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.976 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 3.0 p -110.68 -31.27 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.45 -176.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -29.59 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -51.01 65.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.499 ' O ' HG13 ' A' ' 72' ' ' ILE . 5.6 mm-40 -68.85 -49.03 61.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.593 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -42.49 -40.41 2.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.442 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -31.98 59.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.4 mt-10 -76.61 -45.09 31.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 68' ' ' GLU . 2.4 mt -63.07 -28.18 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.216 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.18 -46.7 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.348 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.37 70.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.249 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -75.5 -57.46 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.4 tp -56.73 -36.34 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.056 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.1 m -103.77 24.95 10.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.48 -31.57 60.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -176.93 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.24 -19.96 16.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.05 -68.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 111.124 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 26.1 m -47.46 136.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.478 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.6 t -128.46 -40.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -100.28 113.92 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.8 p -120.33 114.76 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.884 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 CA--C 1.524 -0.044 0 CA-C-O 120.849 0.357 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 66.3 Cg_endo -87.67 68.58 3.57 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.471 2.114 . . . . 0.0 112.443 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.55 162.98 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.05 121.14 17.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -118.51 141.25 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.1 147.39 23.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.563 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.458 ' CD1' ' CZ ' ' A' ' 73' ' ' PHE . 61.2 m-85 -128.65 109.16 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.029 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 101.4 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.565 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.2 t -118.24 117.69 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.488 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' A' ' 56' ' ' SER . 2.3 mm -108.75 136.22 45.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.446 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -112.43 146.04 39.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.946 0.403 . . . . 0.0 110.752 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.4 p -122.78 69.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 m -134.51 157.27 46.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -100.67 29.89 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -162.79 49.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -77.15 -4.97 47.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.399 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -50.69 -30.3 13.39 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.6 t -74.43 -30.21 61.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -36.38 57.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -59.29 -31.63 69.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -83.74 -28.61 28.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.73 -28.81 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mt -89.94 -29.83 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -75.86 -13.16 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.488 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -56.75 -41.24 77.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.858 0.361 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 58.86 42.54 19.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.62 -48.43 81.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.07 171.37 4.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.65 74.8 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.765 2.31 . . . . 0.0 112.475 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -140.02 152.45 46.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.997 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -135.38 162.47 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.677 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mp -140.16 129.19 23.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -99.62 92.81 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.558 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -59.65 115.06 3.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.908 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.914 0.387 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -88.2 109.25 19.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.645 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.421 ' HA ' HD11 ' A' ' 21' ' ' ILE . 74.1 m -86.05 129.32 34.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.173 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -142.93 131.47 22.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.03 161.32 14.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.755 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.9 t -139.82 113.71 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.549 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.17 101.0 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.264 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.2 ttt -121.79 150.66 41.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.9 99.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.716 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 45.6 t -87.36 136.89 22.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 45.5 t -107.7 -31.31 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.97 -172.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -57.3 -32.16 66.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.024 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.2 m -56.33 -52.96 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.78 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.575 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -64.09 -51.76 62.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.312 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -42.36 -37.29 1.51 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.542 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -29.92 57.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -82.41 -33.93 28.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 68' ' ' GLU . 5.5 mt -71.32 -27.22 28.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.271 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.458 ' CZ ' ' CD1' ' A' ' 18' ' ' TYR . 2.7 m-85 -80.22 -46.24 16.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.477 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -70.42 -29.47 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.236 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -75.21 -39.57 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.7 tp -71.72 -32.88 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.7 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.3 m -100.36 23.91 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.929 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -65.74 -30.96 71.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.14 -176.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.24 30.81 7.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -109.27 -52.56 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 28.0 m -49.4 125.52 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.412 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 81.3 t -120.64 -35.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.169 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.92 110.44 19.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.018 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.5 p -122.32 156.42 33.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.54 0.21 . . . . 0.0 111.5 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 1' ' ' MET . 84.8 Cg_endo -83.2 52.34 3.91 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.617 2.211 . . . . 0.0 112.398 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.35 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -133.8 163.66 28.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.17 -51.84 2.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -127.0 133.9 50.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.09 159.06 43.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' O ' ' CG2' ' A' ' 9' ' ' THR . 42.6 Cg_endo -67.84 -28.25 36.54 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.543 2.162 . . . . 0.0 112.135 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.427 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 8.7 t 45.6 55.9 6.3 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.444 HG21 ' CE2' ' A' ' 12' ' ' TYR . 30.2 mm -115.07 97.58 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.923 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -149.46 99.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.306 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE2' HG21 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -142.32 89.48 8.51 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.695 179.343 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 62.3 Cg_endo -89.93 68.94 1.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.715 2.277 . . . . 0.0 112.449 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.86 178.89 7.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.093 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.6 124.52 26.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.499 ' CD1' ' CZ ' ' A' ' 18' ' ' TYR . 3.2 t-105 -108.38 141.2 40.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -112.47 128.34 56.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.546 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CZ ' ' CD1' ' A' ' 16' ' ' TRP . 54.9 m-85 -122.32 123.54 41.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.178 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HG3' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -82.67 99.77 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.299 179.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.02 122.99 66.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.407 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' A' ' 56' ' ' SER . 1.3 mm -115.28 143.97 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.463 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.76 150.02 41.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.691 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 p -125.94 69.68 1.2 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -149.45 154.34 38.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.04 29.01 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -145.76 33.94 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -77.02 -4.97 46.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.411 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -51.99 -29.83 22.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.79 0.329 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -71.9 -30.15 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.745 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.43 -46.08 16.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.698 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -58.16 -22.11 49.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -90.3 -30.04 17.73 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 30' ' ' LEU . 1.4 pp -87.37 -30.65 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.3 mt -77.3 -25.37 51.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.799 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -5.31 59.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.588 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t -56.22 -36.93 69.0 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.851 0.358 . . . . 0.0 110.964 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 60.06 45.15 12.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -59.38 -57.6 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -106.09 170.67 5.56 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.29 74.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.562 2.174 . . . . 0.0 112.593 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' ARG . 16.4 p90 -140.11 154.03 46.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -140.12 166.9 23.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mp -138.91 132.32 30.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.38 97.97 9.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.613 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -59.56 128.18 35.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -85.35 -35.93 21.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -155.97 147.14 22.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.7 m -89.3 -41.81 11.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m -166.52 31.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -100.04 -41.74 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.86 86.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.04 59.86 5.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -170.32 -54.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -135.31 124.71 24.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -80.45 109.11 14.64 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.313 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.523 ' HA ' HD11 ' A' ' 21' ' ' ILE . 68.8 m -95.65 133.83 39.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.377 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -148.41 136.9 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -97.09 161.94 13.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.725 0.298 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 t -137.59 110.32 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.565 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.13 115.19 27.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.281 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.05 162.2 38.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.953 0.406 . . . . 0.0 111.343 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.96 125.4 26.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.297 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 94.7 t -123.61 141.45 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.448 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.1 t -111.47 -29.81 7.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -177.44 -175.02 0.52 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.08 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -32.79 39.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -54.48 19.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.981 0.42 . . . . 0.0 110.561 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.552 ' O ' HG13 ' A' ' 72' ' ' ILE . 3.6 mt-10 -67.98 -52.61 33.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.147 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -30.36 1.24 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.71 -30.44 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.734 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' GLU . 4.0 tp10 -84.5 -34.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 68' ' ' GLU . 5.7 mt -71.72 -28.87 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -76.63 -36.2 57.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -80.06 -27.04 39.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -75.56 -40.1 57.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.015 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.8 tp -72.8 -31.54 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.03 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.0 t -100.49 26.24 6.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -52.94 62.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.28 -175.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -119.08 31.39 6.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -101.15 -56.49 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.762 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 35.4 m -47.38 137.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.488 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.5 t -123.25 -44.66 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.84 131.61 52.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -134.69 152.84 52.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.765 0.317 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.84 -35.44 15.73 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.503 2.136 . . . . 0.0 112.353 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.47 109.62 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -94.99 -174.83 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -168.57 -43.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -99.03 171.04 8.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.016 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -125.22 156.48 69.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.711 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' O ' ' CG2' ' A' ' 9' ' ' THR . 9.7 Cg_endo -53.09 -58.47 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.653 2.235 . . . . 0.0 112.249 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 9.7 t 46.17 54.59 8.12 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.131 0.491 . . . . 0.0 110.999 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.447 HD13 HG23 ' A' ' 10' ' ' ILE . 29.0 mm -114.61 98.28 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.7 mm -143.84 99.36 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.987 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE2' HG21 ' A' ' 10' ' ' ILE . 2.7 p90 -148.13 89.4 5.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.935 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 60.9 Cg_endo -89.91 67.42 2.02 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.72 2.28 . . . . 0.0 112.223 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.2 p -139.63 170.05 16.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.59 112.01 17.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -106.95 141.32 38.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.02 145.45 24.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.714 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.414 ' CE2' HG21 ' A' ' 72' ' ' ILE . 85.2 m-85 -125.31 106.16 9.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 100.01 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.465 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.81 127.69 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.44 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -117.66 137.41 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.475 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 2.8 mtt -114.65 144.5 43.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 111.012 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 p -122.65 69.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.389 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.96 149.18 30.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 0.16 55.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.352 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.09 37.79 3.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.884 0.373 . . . . 0.0 110.811 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 p -77.21 -4.94 47.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.403 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.34 -30.15 4.64 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -72.71 -45.77 57.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.5 tp -75.18 -29.88 60.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.83 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -33.4 67.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -87.25 -28.62 22.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.855 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -71.08 -28.33 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.732 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.4 mt -89.87 -32.02 17.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.27 -8.06 59.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.479 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -60.06 -40.79 90.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 13.7 m-85 58.64 44.93 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.11 -44.33 95.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 6.6 ptp85 -111.2 168.44 7.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.529 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 23.5 Cg_exo -65.11 65.0 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.681 2.254 . . . . 0.0 112.623 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CE1' ' HA ' ' A' ' 37' ' ' TYR . 17.6 p90 -128.78 141.92 51.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.772 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -120.42 167.19 12.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.07 137.56 34.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.046 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 4.5 mt-10 -104.63 92.07 4.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.475 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -59.67 114.4 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.961 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -72.24 -35.97 68.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -124.38 -174.23 2.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.57 -46.45 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.5 t -142.52 32.85 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.975 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -55.36 15.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 60.56 83.45 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.92 22.16 1.76 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.366 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.52 -6.23 1.95 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.752 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -135.31 116.14 14.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 3.5 m-85 -112.43 109.45 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.736 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.442 ' HA ' HD13 ' A' ' 21' ' ' ILE . 71.0 m -82.61 142.28 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 55' ' ' TYR . 94.6 m-85 -149.88 135.17 18.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.401 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -99.29 159.24 15.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.602 179.756 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -135.94 112.47 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.349 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.95 105.93 16.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.653 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.1 tpt -129.02 150.94 50.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.896 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -77.43 99.73 5.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.785 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 47.3 t -84.3 141.83 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 1.3 m -113.65 -31.39 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -177.32 -175.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -28.18 27.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.019 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -61.8 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.759 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.509 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.0 mt-10 -62.77 -50.7 70.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.414 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 ttt-85 -42.62 -42.27 3.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.426 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.07 -34.99 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -76.64 -40.92 47.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.842 179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 68' ' ' GLU . 2.9 mt -62.8 -28.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -78.35 -52.63 8.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -67.25 -26.87 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -69.02 -45.85 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.8 tp -72.33 -34.39 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.5 m -97.84 28.52 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -54.42 47.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.3 -175.68 3.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.02 28.03 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -90.45 -63.98 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 35.1 m -43.74 144.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.626 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -118.55 -50.55 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -104.8 109.97 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.5 t -128.03 122.27 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.876 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.697 0.284 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.16 60.38 5.55 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.566 2.177 . . . . 0.0 112.321 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -172.83 75.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -143.47 85.53 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -122.74 -61.37 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tptt 59.78 173.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -132.22 131.65 22.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' O ' ' CG2' ' A' ' 9' ' ' THR . 22.1 Cg_endo -60.91 -42.29 38.59 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.455 2.104 . . . . 0.0 112.285 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 4.9 t 44.38 66.61 0.82 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.477 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.453 HG21 ' CE2' ' A' ' 12' ' ' TYR . 19.0 mm -147.36 99.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.862 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.1 mt -148.41 99.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.453 ' CE2' HG21 ' A' ' 10' ' ' ILE . 3.7 p90 -147.44 89.41 5.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.934 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 59.3 Cg_endo -91.24 68.18 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.759 2.306 . . . . 0.0 112.559 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.23 178.99 9.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.84 111.54 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -103.79 136.12 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.26 141.35 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.759 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.416 ' CE2' HG21 ' A' ' 72' ' ' ILE . 74.5 m-85 -126.6 108.94 11.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.77 99.94 6.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.81 118.51 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.355 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -113.44 136.36 50.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.973 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.454 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -113.53 145.54 41.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.667 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.407 HG23 ' CD2' ' A' ' 54' ' ' PHE . 7.2 p -123.1 69.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.122 0.487 . . . . 0.0 110.708 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.49 167.83 21.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.44 -12.53 17.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.249 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -109.87 41.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 p -78.07 -4.84 49.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.293 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -50.08 -36.97 31.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.921 0.391 . . . . 0.0 111.036 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -70.7 -28.11 64.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -36.46 48.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -62.83 -31.49 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.76 -28.93 30.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.94 -36.9 67.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mt -77.54 -30.49 52.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.31 -4.91 53.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.381 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -53.18 -47.28 68.96 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.822 0.344 . . . . 0.0 111.223 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 62.36 33.76 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -62.26 -45.97 90.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -109.14 167.69 8.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.511 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 42.7 Cg_endo -67.77 63.89 0.89 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.562 2.175 . . . . 0.0 112.387 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -129.59 147.47 51.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.97 167.72 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.778 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mp -140.13 133.12 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 4.9 mt-10 -97.53 95.07 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -59.79 118.43 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.001 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -80.31 -32.97 37.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.733 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -130.14 172.11 12.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.795 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.6 p -130.37 -44.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.1 32.42 0.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -62.3 -43.17 99.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.31 45.96 13.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 0.0 110.768 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -95.61 19.2 11.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.452 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER 85.77 -36.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.592 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 5.1 m-85 -107.85 119.47 39.54 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.906 0.384 . . . . 0.0 111.004 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -97.23 109.26 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.421 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.465 ' HA ' HD12 ' A' ' 21' ' ' ILE . 58.7 m -89.52 131.87 35.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.461 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 56' ' ' SER . 36.0 m-85 -147.86 131.8 17.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.476 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.409 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 1.2 t-20 -97.04 164.43 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.15 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.6 t -138.68 115.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.232 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -109.57 102.46 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.2 tpt -127.16 147.2 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.685 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -69.85 99.92 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.6 t -91.84 144.19 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.532 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -114.58 -25.42 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.67 -177.88 0.84 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.774 0.321 . . . . 0.0 111.005 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 10.6 pt-20 -54.5 -35.69 63.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.8 t -50.49 -52.91 34.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.027 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.503 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.6 mt-10 -64.88 -53.92 39.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.25 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -44.32 -38.93 4.21 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.263 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -67.97 -34.36 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.589 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' GLU . 22.2 tt0 -81.64 -35.23 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.5 mt -69.3 -29.31 41.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.004 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -75.91 -44.31 40.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.14 -28.26 67.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -74.16 -51.01 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.2 tp -66.28 -28.12 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.069 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.6 t -99.53 22.15 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -59.07 -54.43 47.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.31 176.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.27 30.51 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -45.55 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.733 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 28.8 m -51.33 126.11 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.36 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.2 t -121.71 -35.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -127.59 117.8 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.3 t -127.8 172.05 11.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -69.17 -66.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.659 2.239 . . . . 0.0 112.117 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.59 157.47 37.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.29 166.35 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 m -132.78 36.79 3.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -146.71 130.23 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -79.62 154.49 76.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' O ' ' CG2' ' A' ' 9' ' ' THR . 18.6 Cg_endo -59.03 -43.75 40.24 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.562 2.175 . . . . 0.0 112.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 11.3 t 47.38 47.99 16.69 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.449 HG21 ' CE2' ' A' ' 12' ' ' TYR . 27.6 mm -112.12 104.35 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.072 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.8 mt -149.36 99.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.995 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.449 ' CE2' HG21 ' A' ' 10' ' ' ILE . 2.4 p90 -148.74 89.56 4.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.743 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.545 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.7 Cg_endo -89.48 68.57 2.21 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.623 2.215 . . . . 0.0 112.447 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.98 169.57 17.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.768 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.68 119.2 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -114.24 135.95 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -91.55 145.94 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.402 ' CE2' HG21 ' A' ' 72' ' ' ILE . 89.5 m-85 -124.97 104.83 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 99.89 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.64 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.9 t -117.74 123.19 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.499 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 56' ' ' SER . 1.6 mm -114.59 140.92 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.778 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.46 152.16 40.56 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.96 0.41 . . . . 0.0 110.794 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 t -129.46 69.59 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.535 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.81 158.32 43.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.073 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 -3.07 33.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.334 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.01 36.06 3.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.1 p -77.51 -4.9 47.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.463 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 p -51.87 -25.9 8.95 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.768 0.318 . . . . 0.0 111.247 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.7 t -81.93 -34.48 29.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.997 0.427 . . . . 0.0 110.506 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.6 tp -79.93 -37.79 33.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.938 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -29.09 70.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -83.85 -31.0 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 mt -72.15 -29.07 63.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 mt -90.16 -32.46 16.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -75.72 -24.69 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.257 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 t -56.77 -35.91 69.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.038 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 59.17 47.87 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.89 -60.93 3.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' HG3' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -93.27 164.8 20.06 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.34 79.55 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.659 2.239 . . . . 0.0 112.586 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CD2' ' HG3' ' A' ' 39' ' ' ARG . 46.0 p90 -140.08 168.83 18.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.774 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -140.11 166.81 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.739 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.22 130.45 25.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 2.5 mt-10 -98.26 94.91 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.552 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -59.7 115.14 3.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.792 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -77.42 -35.69 53.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.757 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -145.41 135.92 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 p -139.76 35.2 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -43.43 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -72.04 92.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.7 49.35 1.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -162.46 -49.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -128.11 121.56 29.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -88.55 109.17 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.477 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.503 ' HA ' HD12 ' A' ' 21' ' ' ILE . 69.7 m -98.11 130.98 44.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.217 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -149.11 130.43 14.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.705 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.412 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 1.3 t-20 -91.36 164.93 13.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.5 t -139.33 111.85 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.416 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.61 105.08 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.758 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tpt -123.8 153.52 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.917 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.67 99.9 4.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.2 t -88.23 137.04 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 6.0 m -113.4 -28.33 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.06 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.15 -166.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.056 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.69 -30.61 69.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.4 m -55.28 -50.82 68.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.754 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -68.09 -54.9 14.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.0 ttt85 -43.41 -35.33 1.54 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.456 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -77.09 -29.48 54.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.642 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' GLU . 20.7 tt0 -82.9 -34.67 26.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 68' ' ' GLU . 6.5 mt -69.68 -28.34 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.068 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.41 -45.99 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.231 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -67.19 -40.22 86.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 111.022 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.62 -50.3 73.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.5 tp -63.11 -35.77 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -99.21 26.62 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -40.63 90.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 173.14 8.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -105.96 29.8 6.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.046 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -98.35 -56.46 2.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.655 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.4 m -46.77 133.42 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.414 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.7 t -127.47 -38.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.136 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.92 107.15 16.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -110.39 169.46 8.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tt . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.879 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtp . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.638 0.256 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.93 -42.36 3.3 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.571 2.18 . . . . 0.0 112.29 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -115.08 163.18 15.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -119.25 -178.37 3.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -137.19 -75.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.07 -166.23 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.796 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.01 111.41 26.82 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' O ' ' CG2' ' A' ' 9' ' ' THR . 78.8 Cg_endo -77.26 -23.48 10.22 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.572 2.181 . . . . 0.0 112.51 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 13.7 t 47.48 34.31 3.35 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.116 0.484 . . . . 0.0 110.831 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 HG21 ' CZ ' ' A' ' 12' ' ' TYR . 19.9 mm -144.77 99.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.922 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 mm -143.05 99.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -149.27 89.0 4.91 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.809 179.321 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 91.3 Cg_endo -83.73 68.73 6.85 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.312 2.008 . . . . 0.0 112.139 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -139.28 170.87 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.309 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.3 115.57 17.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.765 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -111.27 141.29 44.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -97.65 146.8 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.756 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -129.42 107.05 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 99.91 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.9 t -112.27 120.13 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 56' ' ' SER . 1.8 mm -109.89 134.33 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.153 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.44 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.5 OUTLIER -112.18 145.85 39.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 p -120.53 69.95 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -144.29 165.24 28.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -102.2 -10.1 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.08 44.13 1.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.002 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.7 p -78.49 -4.97 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 m -50.58 -29.41 10.74 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.763 0.316 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 t -71.42 -30.06 65.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -46.15 16.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -58.52 -30.62 67.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -83.12 -27.54 30.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.82 -35.87 22.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.93 -29.06 60.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.35 -5.05 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.547 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.4 p -57.4 -46.62 83.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.751 0.31 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.418 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 4.9 m-85 60.3 35.79 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -62.91 -22.5 66.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -127.96 165.23 31.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.0 71.81 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.557 2.172 . . . . 0.0 112.623 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 27.5 p90 -140.1 157.09 46.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.724 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -136.68 165.7 25.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -140.05 131.06 26.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.0 OUTLIER -99.65 94.53 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.957 0.408 . . . . 0.0 110.513 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -59.62 118.25 5.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -76.1 -35.68 59.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -128.19 -178.01 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.9 p -125.4 -50.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -176.79 37.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.03 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -24.12 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.9 m120 62.22 60.03 1.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.37 14.21 32.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.479 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER 78.04 -6.13 2.0 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.817 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 8.5 m-85 -138.49 117.5 12.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -98.14 109.3 22.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.542 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.451 ' HA ' HD11 ' A' ' 21' ' ' ILE . 19.4 m -88.43 126.75 35.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.215 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -136.46 137.69 40.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.785 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.431 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 3.1 m-20 -103.76 160.22 14.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 t -139.5 113.47 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.376 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.34 101.6 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.759 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 tpt -124.27 154.57 40.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -76.89 105.9 8.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 66.9 t -92.98 138.8 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 45.8 m -112.48 -29.14 7.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.82 -172.8 0.55 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -31.71 63.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -54.47 -53.43 54.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.522 ' O ' HG13 ' A' ' 72' ' ' ILE . 9.3 mm-40 -63.56 -51.8 63.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.438 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -45.12 -30.17 1.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.322 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -79.04 -33.09 45.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.694 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.3 tt0 -81.88 -37.85 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.624 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 68' ' ' GLU . 4.0 mt -68.88 -28.58 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -78.59 -49.4 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -70.5 -29.68 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -48.5 70.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.168 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 tp -67.79 -31.14 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.096 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 p -97.02 24.04 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -58.34 -42.8 87.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.3 mp -79.82 -178.98 6.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -110.24 29.64 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -96.87 -55.25 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.81 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 35.4 m -46.12 132.7 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.437 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.0 t -120.17 -42.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.04 131.18 56.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.688 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 t -132.23 148.3 52.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.687 0.28 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -81.39 53.04 4.53 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.77 2.313 . . . . 0.0 112.643 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t 177.41 177.4 0.34 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.769 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -79.61 121.44 25.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -77.05 -35.56 56.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 148.01 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -139.22 157.5 70.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 7' ' ' LYS . 31.1 Cg_endo -63.14 74.05 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.693 2.262 . . . . 0.0 112.456 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 t -142.42 44.52 1.63 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.692 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.439 HG22 ' CE2' ' A' ' 12' ' ' TYR . 19.8 mm -124.36 105.33 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.035 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.9 mt -150.1 99.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.439 ' CE2' HG22 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -132.37 89.46 36.69 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.37 179.304 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 92.3 Cg_endo -84.4 68.85 6.33 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.214 1.943 . . . . 0.0 112.147 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.7 p -138.29 169.1 18.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.02 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.12 118.29 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.731 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -118.42 136.98 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -92.32 151.35 20.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.648 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.425 ' CE2' HG23 ' A' ' 72' ' ' ILE . 85.1 m-85 -127.93 107.4 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.068 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 100.04 5.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.06 124.32 70.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.47 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 56' ' ' SER . 2.3 mm -111.71 128.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.701 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.521 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 2.8 mtm -110.79 138.9 46.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 p -118.21 69.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.586 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.44 153.88 42.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -99.3 28.19 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -144.61 39.99 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.764 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 p -77.02 -4.8 46.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.531 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.01 -26.82 6.61 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.831 0.348 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 t -77.28 -27.92 53.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.514 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -47.95 10.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -27.5 17.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.109 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -89.2 -32.78 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.05 -28.7 48.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.971 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.3 mt -84.87 -28.09 26.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -88.08 -18.47 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.36 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.0 t -51.76 -30.3 22.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.782 0.325 . . . . 0.0 111.031 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 62.21 41.95 10.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -59.52 -49.87 76.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -112.58 170.64 5.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.686 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 11.9 Cg_exo -71.09 60.29 2.38 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.716 2.277 . . . . 0.0 112.537 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 2.7 p90 -126.66 141.74 51.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.983 0.421 . . . . 0.0 110.851 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 3.3 tppt? -115.95 157.52 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.643 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD13 ' CE2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -129.91 127.44 40.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.42 90.96 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.654 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.72 109.98 1.04 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -68.29 -35.79 78.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -126.46 -176.38 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -146.78 -46.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 m -136.29 38.16 2.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -52.09 62.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 m120 59.96 49.73 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -114.42 26.48 10.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.328 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 80.11 -48.4 0.34 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.545 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -104.17 115.83 31.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.782 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.85 109.29 22.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.761 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 21' ' ' ILE . 18.4 m -72.27 132.49 44.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.478 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -142.77 142.88 32.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.1 161.44 14.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.5 t -143.01 109.97 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -104.42 114.29 28.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.513 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.5 tpt -134.29 152.75 51.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.007 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.0 100.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 57.8 t -89.9 138.88 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -107.31 -31.15 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.817 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.74 -177.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -51.73 -30.47 22.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.166 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -55.0 -53.83 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.74 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.524 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -65.9 -51.05 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.453 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -43.82 -31.85 0.93 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.65 -33.01 41.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.788 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' GLU . 9.6 tt0 -80.67 -37.81 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.9 mt -68.74 -29.16 42.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.07 -47.97 19.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.246 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -71.95 -30.84 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -68.67 -42.07 78.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.077 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.0 tp -72.48 -34.39 48.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 m -97.76 28.15 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -51.94 67.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.93 -176.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.97 30.85 6.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -96.68 -52.55 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.521 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.5 m -50.37 140.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.502 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.5 t -130.9 -42.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.009 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -113.62 106.4 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.1 p -109.88 148.96 30.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.2 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.919 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 ptm . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.576 0.227 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.04 -25.71 43.88 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.375 2.05 . . . . 0.0 112.271 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -60.61 129.32 40.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -138.21 46.1 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -82.08 -43.26 18.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.32 152.41 43.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HG2' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -110.86 139.16 21.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.699 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HD2' ' HG2' ' A' ' 7' ' ' LYS . 29.5 Cg_endo -63.33 -31.53 73.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.329 2.019 . . . . 0.0 111.664 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 8.5 t 45.37 58.05 4.44 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.138 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.446 HG23 ' CE2' ' A' ' 12' ' ' TYR . 25.9 mm -105.05 95.29 3.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.807 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 mm -143.43 99.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.06 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.1 p90 -138.54 89.5 13.6 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.728 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.9 Cg_endo -88.28 69.1 3.02 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.557 2.171 . . . . 0.0 112.214 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 p -133.58 -171.99 2.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.865 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.24 107.09 19.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -107.12 148.9 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -101.38 162.02 13.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CE2' HG23 ' A' ' 72' ' ' ILE . 93.1 m-85 -134.47 104.72 6.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -80.14 99.81 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.675 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.4 t -117.46 126.48 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.402 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.5 mm -112.85 129.93 67.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.445 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 1.2 mtt -115.19 143.58 45.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.741 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.417 ' CG2' ' CD2' ' A' ' 54' ' ' PHE . 6.1 p -120.81 69.84 0.89 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 m -138.42 149.22 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -96.65 22.94 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -137.68 41.23 2.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.977 0.418 . . . . 0.0 110.472 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -71.53 -8.71 55.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.485 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 33.1 t -50.18 -33.15 18.25 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -76.6 -28.66 56.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.345 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 2.7 tp -80.78 -41.94 22.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.76 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 6.4 ptpt -60.3 -21.87 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.23 -33.46 16.16 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.386 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 30' ' ' LEU . 2.2 pp -81.58 -23.04 37.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.228 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.77 -28.56 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -89.93 -4.77 57.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.431 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.1 t -47.08 -33.55 5.06 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.752 0.31 . . . . 0.0 111.246 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.24 39.34 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -60.97 -55.57 31.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 1.4 ptt85 -112.11 166.88 10.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.649 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 35.2 Cg_endo -65.08 75.1 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.443 2.096 . . . . 0.0 112.391 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -139.18 162.7 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.05 162.75 34.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.763 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.27 128.45 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -96.99 93.6 6.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.76 109.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.807 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -80.72 -36.03 32.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -90.86 104.6 17.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.88 76.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.51 31.2 20.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -39.28 65.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.7 79.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.28 28.11 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.25 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt 80.0 -48.54 0.35 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.471 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CD2' ' CG2' ' A' ' 23' ' ' THR . 2.3 m-85 -104.87 116.2 31.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.802 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -96.05 109.38 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.442 ' HA ' HD12 ' A' ' 21' ' ' ILE . 70.6 m -77.69 134.68 38.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.473 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -141.96 138.68 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.706 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -108.77 157.6 18.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -138.78 114.89 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 112.83 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.7 tpt -137.37 145.4 43.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -69.97 103.84 2.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 92.1 t -89.66 141.78 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.5 m -110.66 -31.24 7.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.775 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.39 179.86 4.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -30.94 63.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -53.8 28.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.542 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -67.15 -50.86 59.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -41.86 -38.88 1.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.531 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -74.58 -34.06 62.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.684 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.3 tt0 -76.35 -41.25 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.016 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.0 mt -63.6 -28.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.054 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -51.28 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.167 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -27.09 68.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -74.74 -44.14 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.8 tp -71.04 -35.43 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.1 m -100.22 26.89 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -53.3 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.84 -179.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.02 31.42 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.76 -47.13 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.8 m -53.38 141.89 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.391 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.1 t -127.3 -46.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -121.05 106.77 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 p -87.92 154.24 20.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.723 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.966 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.7 tpp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.25 -73.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.448 2.099 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 p 61.52 117.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.29 -176.35 2.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -144.35 156.76 44.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.95 166.28 25.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.61 82.93 17.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' O ' ' CG2' ' A' ' 9' ' ' THR . 67.8 Cg_endo -74.2 -21.06 18.23 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.596 2.198 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 9.3 t 46.0 50.26 11.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.967 0.413 . . . . 0.0 111.369 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.444 HG22 ' CE2' ' A' ' 12' ' ' TYR . 24.0 mm -147.31 95.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.694 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.3 mm -143.57 99.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE2' HG22 ' A' ' 10' ' ' ILE . 1.1 p90 -142.74 89.49 8.09 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.894 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 57.8 Cg_endo -91.67 68.41 1.03 Allowed 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.826 2.351 . . . . 0.0 112.539 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.6 169.0 18.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.24 108.85 4.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -106.06 137.4 44.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.91 150.31 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.415 ' CE2' HG21 ' A' ' 72' ' ' ILE . 69.0 m-85 -129.13 110.01 11.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -76.35 101.97 5.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.0 t -123.72 124.89 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.377 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.5 mm -113.89 140.38 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.402 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -115.56 148.32 39.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.52 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -126.39 69.47 1.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.669 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.35 149.3 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -15.06 40.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.289 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -109.66 45.0 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.5 p -77.82 -4.91 48.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.37 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -52.53 -30.65 31.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -71.11 -27.21 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -44.41 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -56.39 -30.62 62.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -85.35 -28.2 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.03 -38.55 27.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.5 mt -71.93 -30.6 65.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.26 -13.14 60.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.391 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.4 p -55.78 -44.47 77.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 58.8 38.93 24.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.25 -31.51 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.19 167.57 12.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.88 65.35 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.427 2.084 . . . . 0.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -134.17 152.87 52.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -132.24 169.31 16.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.79 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mp -139.94 129.58 24.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.4 94.91 6.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.53 109.91 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.578 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -67.4 -36.38 81.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.172 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -129.72 169.52 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.1 -66.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 p -166.73 33.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.747 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.99 -38.22 8.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -72.46 82.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.8 62.27 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -170.69 -47.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 6.6 m-85 -136.67 116.78 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -87.16 109.2 19.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 21' ' ' ILE . 23.7 m -90.0 127.91 36.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.008 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -143.46 126.29 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -88.98 162.0 16.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.746 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 t -138.52 110.78 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.456 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -103.45 99.95 9.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.518 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 ttt -120.27 152.56 37.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.71 99.91 2.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.86 138.66 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 23.6 t -109.22 -28.02 9.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.787 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.48 -171.07 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.0 -37.69 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.4 m -49.46 -55.14 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.276 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.51 ' O ' HG13 ' A' ' 72' ' ' ILE . 4.9 mm-40 -62.05 -52.53 63.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.5 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -41.76 -50.21 4.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.548 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -61.2 -32.48 72.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.391 . . . . 0.0 110.654 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.5 tt0 -78.61 -41.3 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.834 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.0 mt -65.05 -25.7 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.421 ' CZ ' ' HB ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -77.3 -39.19 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.196 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.15 -36.61 47.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.068 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -62.13 -49.07 77.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.067 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 tp -66.8 -31.07 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 t -97.25 23.78 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -51.7 68.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.58 -178.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -110.63 30.86 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.05 -61.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.792 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 18.7 m -46.34 133.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.547 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.3 t -128.48 -37.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -93.92 130.9 39.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.421 ' HB ' ' CZ ' ' A' ' 73' ' ' PHE . 72.9 p -132.52 118.02 18.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.706 0.288 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.72 -30.91 17.11 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.513 2.142 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -125.65 107.05 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -117.66 168.99 9.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.08 122.73 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 166.11 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -170.92 158.29 5.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.158 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.95 -52.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 123.094 2.529 . . . . 0.0 111.521 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.467 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 15.2 t -179.32 37.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.424 HG22 ' CE2' ' A' ' 12' ' ' TYR . 19.8 mm -106.8 98.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.0 mt -146.79 99.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.424 ' CE2' HG22 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -144.64 89.58 6.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.728 179.811 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.539 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.8 Cg_endo -88.01 68.25 3.33 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.56 2.173 . . . . 0.0 112.449 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.03 168.45 21.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -69.91 120.98 16.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -114.86 138.99 50.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -93.37 148.99 21.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 72' ' ' ILE . 95.1 m-85 -129.76 110.86 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.64 99.82 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.595 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.19 124.12 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.373 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 56' ' ' SER . 1.5 mm -115.4 131.07 68.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.092 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.441 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -111.84 145.41 39.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.759 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 p -120.72 69.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.076 0.465 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -144.16 150.26 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 26.74 4.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.033 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -139.43 37.61 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p -74.52 -6.65 49.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.566 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.1 m -52.68 -25.8 11.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.828 0.346 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -83.68 -33.55 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.352 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 tp -80.43 -34.69 35.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.863 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -29.92 70.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.14 -28.58 27.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.853 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -28.84 56.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -86.35 -29.11 23.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.17 -8.88 59.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.565 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -58.07 -38.91 77.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 8.2 m-85 57.79 45.2 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -62.1 -42.15 98.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.751 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' PHE . 15.2 ptp180 -119.73 167.17 12.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.579 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.34 75.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.674 2.249 . . . . 0.0 112.572 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 37' ' ' TYR . 13.3 p90 -140.06 147.14 39.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.638 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -131.34 164.02 26.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mp -140.31 129.94 24.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 2.0 mt-10 -97.57 94.19 6.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.0 0.428 . . . . 0.0 110.387 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -59.47 111.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.925 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -36.22 65.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -114.03 -175.18 2.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.778 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 t -159.86 82.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m 56.5 30.63 17.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.063 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -68.74 -32.84 72.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m120 59.55 79.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.47 20.78 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.294 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 tttt 79.82 -8.28 1.57 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.835 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -140.27 122.58 15.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.994 0.426 . . . . 0.0 111.015 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -105.21 109.08 20.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.426 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.487 ' HA ' HD11 ' A' ' 21' ' ' ILE . 48.5 t -91.38 122.77 34.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.173 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -138.24 128.84 26.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.419 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 2.4 m-20 -89.53 160.75 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.7 t -141.05 116.19 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 111.67 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.59 125.22 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.372 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.7 tpt -146.39 150.5 35.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.892 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -72.68 99.99 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.5 t -91.56 141.15 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.0 t -113.42 -29.9 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.049 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.41 -176.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.157 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -29.97 50.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.41 -51.53 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.807 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' O ' HG13 ' A' ' 72' ' ' ILE . 12.1 mm-40 -65.86 -49.96 66.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.469 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.82 -30.29 0.95 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.372 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -83.39 -30.26 27.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' GLU . 4.8 tt0 -83.09 -36.77 24.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 68' ' ' GLU . 4.2 mt -72.51 -30.87 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -76.87 -43.55 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -70.05 -36.88 75.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -61.04 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.2 tp -56.43 -32.06 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.66 22.35 13.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.775 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -32.0 63.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 0.0 110.752 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.27 -175.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.27 20.92 11.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -36.2 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.746 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 19.1 m -56.45 132.85 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -122.42 -40.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -115.02 133.9 55.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -141.11 139.17 33.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.5 tp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.002 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 120.527 0.203 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.92 -27.52 8.5 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.499 2.133 . . . . 0.0 112.336 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p -143.51 -168.56 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.54 163.26 31.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.63 -78.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.41 175.27 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -169.5 157.36 6.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 7' ' ' LYS . 19.7 Cg_endo -58.36 -17.28 32.66 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.606 2.204 . . . . 0.0 112.583 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -107.66 76.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 110.804 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mm -131.37 91.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 mm -143.85 99.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.028 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -150.14 89.1 4.63 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 94.0 Cg_endo -82.76 62.59 7.83 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.341 2.027 . . . . 0.0 112.162 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.45 173.95 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.146 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 122.32 24.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -119.81 141.46 49.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.8 153.43 21.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CE2' HG21 ' A' ' 72' ' ' ILE . 65.6 m-85 -131.12 104.45 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.092 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -72.42 103.28 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.621 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.1 t -121.91 125.81 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.455 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 56' ' ' SER . 1.5 mm -114.91 137.94 46.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.481 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -117.07 145.44 43.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.926 0.393 . . . . 0.0 110.761 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 p -124.57 69.59 1.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.624 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -130.34 154.87 47.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -98.98 28.62 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.834 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -162.09 47.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.728 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -74.31 -7.15 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.426 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.2 p -49.06 -29.43 5.08 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -76.86 -40.94 45.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.7 tp -75.26 -31.64 60.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.811 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -61.97 -39.08 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -75.98 -29.31 58.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -71.1 -29.23 65.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mt -90.0 -32.12 16.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.87 -5.21 55.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.507 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t -73.83 -32.55 63.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.756 0.312 . . . . 0.0 111.01 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 60.73 46.77 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -58.46 -30.08 66.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 3.7 ptp85 -131.13 170.57 10.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.737 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 16.6 Cg_exo -68.2 62.28 1.04 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.647 2.231 . . . . 0.0 112.625 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CE2' HD11 ' A' ' 43' ' ' LEU . 6.7 p90 -132.33 141.58 49.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.889 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.82 169.86 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD11 ' CE2' ' A' ' 41' ' ' PHE . 2.1 mp -140.13 129.28 23.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -97.65 93.42 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.6 m-30 -59.85 123.7 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -87.6 -35.71 17.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -113.94 -176.66 2.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.8 p -131.15 -85.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -126.08 -10.47 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.677 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -72.73 -59.85 2.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.906 0.384 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -59.65 90.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.06 -31.0 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -80.33 -54.28 5.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.778 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -113.57 113.66 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -97.09 109.38 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.496 ' HA ' HD13 ' A' ' 21' ' ' ILE . 45.1 m -96.65 120.21 36.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.96 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -137.3 140.04 41.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.67 162.73 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.673 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -139.15 113.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.408 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.86 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.4 ttt -139.23 153.94 47.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.91 124.04 23.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.935 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -114.27 138.57 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.96 0.41 . . . . 0.0 111.222 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -107.39 -30.27 8.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.59 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.15 -176.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.791 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.5 -28.6 13.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.189 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -57.27 12.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.537 ' O ' HG13 ' A' ' 72' ' ' ILE . 6.0 mm-40 -65.27 -50.8 64.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -40.8 3.17 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.483 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -71.92 -31.42 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.6 tt0 -80.3 -35.82 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.016 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.8 mt -68.66 -28.75 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.724 0.297 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -48.64 12.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.315 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -35.64 80.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.123 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -67.52 -48.87 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.5 tp -64.18 -31.85 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -99.17 24.05 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -65.49 -43.67 89.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.4 -179.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -111.15 31.98 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -54.96 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.79 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 19.8 m -49.88 125.88 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.419 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.3 t -120.4 -36.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.202 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -118.81 106.05 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.9 p -115.43 151.25 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.833 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.413 ' CB ' ' CD ' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 120.601 0.239 . . . . 0.0 111.51 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 1' ' ' MET . 60.5 Cg_endo -72.89 -30.51 11.12 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.496 2.131 . . . . 0.0 112.405 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 m -73.33 173.3 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 60.23 -178.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.0 42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.17 136.47 40.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -59.76 156.05 37.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.792 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' O ' ' CG2' ' A' ' 9' ' ' THR . 13.6 Cg_endo -56.58 -52.76 6.29 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.653 2.235 . . . . 0.0 112.152 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 6.4 t 45.61 59.99 3.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.185 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG21 ' CE2' ' A' ' 12' ' ' TYR . 25.8 mm -121.36 95.6 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.934 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 mm -143.97 99.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.049 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.425 ' CE2' HG21 ' A' ' 10' ' ' ILE . 1.3 p90 -147.97 89.31 5.31 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.027 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.527 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 59.7 Cg_endo -91.11 68.2 1.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.898 2.399 . . . . 0.0 112.439 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.5 m -149.04 173.83 12.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.73 115.07 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -111.1 126.91 55.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -83.63 149.61 26.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.607 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' A' ' 72' ' ' ILE . 86.0 m-85 -130.77 100.86 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.052 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.76 101.54 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.436 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.4 t -116.07 121.95 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.494 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -109.3 133.16 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.45 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -114.43 143.63 44.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.883 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.8 p -121.73 69.37 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.6 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.98 147.08 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -86.31 2.98 45.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.373 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.69 38.64 2.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.2 p -76.08 -6.28 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.392 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 p -55.84 -43.98 77.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.769 0.319 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.6 t -69.24 -33.98 74.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.406 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 35.9 tp -77.82 -31.08 51.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.62 -21.68 61.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.28 -28.76 18.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.367 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' CD2' ' HA ' ' A' ' 30' ' ' LEU . 3.0 pp -83.19 -20.91 33.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.492 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.7 mt -84.1 -32.88 24.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -84.32 -4.86 59.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.494 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -53.16 -34.06 55.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.805 0.336 . . . . 0.0 111.229 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 58.03 46.78 15.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -69.28 -40.64 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.041 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.63 169.27 12.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.741 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.88 72.61 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.797 2.332 . . . . 0.0 112.437 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -140.13 141.54 36.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 165.44 18.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.799 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.62 132.46 39.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -100.8 92.11 4.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -59.8 110.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.734 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -57.79 -36.17 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.118 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -141.71 -175.6 4.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.02 -66.76 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 p -129.03 28.78 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -98.81 -24.34 15.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -55.81 91.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.15 -64.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -113.5 -26.68 8.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.309 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -119.0 120.1 36.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.845 0.355 . . . . 0.0 111.294 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -98.13 109.08 21.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.489 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.464 ' HA ' HD13 ' A' ' 21' ' ' ILE . 71.4 m -87.07 136.26 32.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.359 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -149.19 120.3 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.602 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -87.75 157.73 18.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.967 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -139.54 110.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.53 108.47 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.9 ttt -132.05 152.32 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.39 117.47 16.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.9 t -108.86 144.94 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -114.8 -31.65 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.23 -176.86 2.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -54.99 -30.21 58.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -56.21 14.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.6 mt-10 -64.47 -48.8 73.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.538 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -44.46 -34.52 2.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.367 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -79.22 -30.88 43.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.3 tt0 -81.66 -36.63 28.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.2 mt -69.48 -29.74 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.248 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -54.73 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -59.36 -30.01 68.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.097 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -70.96 -53.14 15.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.9 tp -64.55 -36.58 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -99.23 27.36 5.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -63.5 -55.17 26.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.42 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -116.92 52.21 0.96 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.0 -58.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 34.9 m -44.18 143.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.685 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.9 t -122.85 -49.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.185 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.31 128.82 37.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 p -136.28 120.32 17.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.955 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 120.557 0.218 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -81.53 56.15 5.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.537 2.158 . . . . 0.0 112.395 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -132.91 117.03 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.58 -178.22 3.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -101.92 -51.92 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.23 170.17 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.99 154.89 49.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.755 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' ' CG2' ' A' ' 9' ' ' THR . 23.8 Cg_endo -61.55 -36.95 73.71 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.496 2.131 . . . . 0.0 112.278 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 14.2 t 47.8 46.6 18.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.26 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 HG21 ' CE2' ' A' ' 12' ' ' TYR . 24.5 mm -111.01 96.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.751 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.2 mm -143.8 99.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.203 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.422 ' CE2' HG21 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -142.05 89.55 8.74 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.809 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.515 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.9 Cg_endo -89.35 68.2 2.32 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.732 2.288 . . . . 0.0 112.583 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.25 163.25 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 120.05 15.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -116.08 140.43 49.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.97 151.08 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.421 ' CE2' HG23 ' A' ' 72' ' ' ILE . 72.7 m-85 -130.87 103.16 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.993 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -70.95 103.92 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.85 120.53 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.511 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 56' ' ' SER . 2.9 mm -115.62 138.27 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.745 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.41 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.9 153.21 36.2 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.003 0.43 . . . . 0.0 110.762 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -131.16 69.11 1.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.285 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.94 150.79 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.142 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -98.32 26.35 5.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -139.2 39.86 2.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 p -76.03 -5.18 45.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.464 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -52.14 -26.36 11.17 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.801 0.334 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -80.94 -30.89 35.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 tp -82.79 -41.69 18.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.878 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -30.48 64.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -85.46 -31.22 22.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.787 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -76.59 -28.07 56.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -87.74 -36.45 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -75.54 -7.32 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.339 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.5 t -58.97 -37.39 76.69 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.799 0.333 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 59.8 47.73 9.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -61.47 -59.33 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER -107.98 170.8 5.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.526 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 29.1 Cg_exo -62.36 74.8 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.612 2.208 . . . . 0.0 112.344 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -140.03 146.64 39.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.878 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.05 169.98 16.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.762 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.88 139.13 36.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -100.58 97.05 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.439 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -59.79 115.59 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.033 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -89.94 -35.8 15.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -120.11 97.76 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.02 -32.17 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.45 33.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -77.04 -50.2 13.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 59.87 92.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.04 26.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.241 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 78.46 -5.62 2.03 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.761 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 10.5 m-85 -138.78 118.02 12.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -92.45 109.13 20.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.445 ' HA ' HD11 ' A' ' 21' ' ' ILE . 72.2 m -89.1 128.88 35.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.289 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -145.05 126.01 14.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.673 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.421 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 3.7 t-20 -91.16 161.49 15.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.905 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.36 120.32 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.281 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.04 113.24 25.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.627 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.0 ttt -134.17 150.83 51.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.082 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.19 107.07 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -95.73 139.51 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.515 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -110.65 -27.86 8.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.875 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -178.18 1.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -54.98 -36.73 65.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -48.15 -52.12 22.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.539 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.6 mt-10 -64.79 -50.13 67.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.564 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -35.93 1.62 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.219 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.07 -31.7 56.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.738 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' GLU . 28.8 tt0 -80.02 -38.44 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.924 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.6 mt -68.61 -26.92 34.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.349 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -80.25 -41.24 25.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.415 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -74.31 -38.44 63.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.079 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' A' ' 72' ' ' ILE . 5.6 ptpt -64.2 -41.8 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.162 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.5 tp -69.51 -38.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.067 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.8 p -99.08 28.71 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -37.68 84.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.47 -175.8 2.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.7 30.43 7.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.063 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -98.87 -58.03 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.77 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 35.8 m -48.02 129.26 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.541 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.09 -36.93 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.068 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -109.86 106.88 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 p -120.65 153.69 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.857 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mmt . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 120.565 0.222 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -74.39 -23.85 14.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.459 2.106 . . . . 0.0 112.557 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -137.55 -69.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.72 -171.9 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.186 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.55 76.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -137.48 178.85 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 95.78 43.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.6 -19.8 27.64 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.502 2.134 . . . . 0.0 112.663 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.2 t -90.21 49.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG23 ' CE2' ' A' ' 12' ' ' TYR . 31.4 mm -147.89 97.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.5 mm -144.23 99.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.155 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.435 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.7 p90 -147.11 89.5 5.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.806 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 60.1 Cg_endo -91.49 68.45 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.809 2.339 . . . . 0.0 112.524 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -143.41 163.2 33.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 118.73 17.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.4 t-105 -114.82 144.24 43.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -92.74 152.33 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -132.31 101.42 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.72 99.96 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.638 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.8 t -116.06 126.54 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.257 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 56' ' ' SER . 1.8 mm -110.4 138.16 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.438 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -116.65 145.51 43.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.714 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 p -122.17 69.8 0.96 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.814 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -132.58 156.97 45.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 27.7 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.42 49.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -70.91 -9.8 58.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.501 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -51.14 -26.44 6.68 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.861 0.362 . . . . 0.0 111.08 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.4 t -75.99 -28.59 57.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.595 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.34 -45.0 18.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.664 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -57.08 -22.93 43.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 1.4 pt-20 -90.2 -30.73 17.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 30' ' ' LEU . 1.7 pp -87.15 -23.11 24.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.074 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.8 mt -85.94 -28.24 24.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -90.06 -4.9 57.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.579 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -59.49 -40.28 86.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.695 0.283 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 58.13 44.43 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.074 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -56.63 -38.71 72.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.443 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -125.55 171.18 8.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.332 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 27.3 Cg_exo -63.08 71.37 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.0 112.526 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 39' ' ' ARG . 19.2 p90 -137.8 142.11 40.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -122.11 169.52 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.14 139.04 35.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.043 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -105.05 91.76 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.456 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.83 118.01 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.047 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.3 -35.74 30.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.719 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -121.96 147.76 45.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -128.45 97.38 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 m 57.16 40.4 28.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.033 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -84.46 -37.38 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 59.31 50.6 7.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.42 24.8 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.45 -49.11 0.4 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.451 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.47 107.66 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -88.45 109.5 20.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.486 ' HA ' HD13 ' A' ' 21' ' ' ILE . 9.3 t -87.31 135.09 33.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 56' ' ' SER . 26.8 m-85 -147.6 130.81 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.08 162.65 13.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.11 112.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.425 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.87 110.81 23.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.2 tpt -133.83 154.37 51.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -74.89 105.69 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -94.69 139.07 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.9 m -112.52 -29.1 7.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.5 -176.81 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.915 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -56.8 -37.27 70.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.36 -50.95 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.504 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.8 mt-10 -67.2 -52.74 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -44.32 -31.14 0.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.338 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -80.01 -32.39 39.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -82.18 -34.97 28.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.741 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 68' ' ' GLU . 4.0 mt -70.21 -29.65 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.171 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.97 -45.62 16.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.074 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.6 -39.71 77.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -60.62 -49.41 77.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.9 tp -65.41 -35.54 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -99.85 26.48 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -67.85 -36.83 81.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.46 -177.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -112.42 30.96 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -102.55 -48.35 4.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.438 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 31.3 m -53.08 139.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.384 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.4 t -128.34 -43.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.997 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.84 126.51 53.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.3 p -117.13 143.99 45.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.64 0.257 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.26 -35.9 10.38 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.537 2.158 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.1 p -91.51 145.28 24.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -118.66 160.35 21.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -165.32 -44.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -72.7 159.6 33.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.74 167.48 12.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' O ' ' CB ' ' A' ' 9' ' ' THR . 26.8 Cg_endo -94.46 -75.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 123.392 2.728 . . . . 0.0 111.724 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.433 ' CB ' ' O ' ' A' ' 8' ' ' PRO . 1.2 t 161.97 80.57 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 10' ' ' ILE . 22.8 mm -140.86 90.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 111.195 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.6 mm -144.55 99.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -150.1 89.35 4.6 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 61.2 Cg_endo -90.48 65.76 1.68 Allowed 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.744 2.296 . . . . 0.0 112.474 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.0 m -143.8 -178.74 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.038 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.35 113.51 22.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.007 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -103.55 156.39 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -111.96 154.39 25.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -137.04 121.63 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.148 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 tpp85 -88.29 99.59 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.1 t -115.01 129.47 71.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.653 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 56' ' ' SER . 3.0 mm -118.04 141.94 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.679 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.482 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 2.7 mtt -118.81 141.42 48.65 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 111.052 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 p -120.77 69.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.646 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 m -142.88 152.02 41.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -98.99 28.14 4.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -150.02 47.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.6 p -76.47 -5.04 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.425 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -27.87 6.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.84 0.353 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -77.55 -29.0 52.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.727 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.55 -43.92 18.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.946 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -32.21 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -86.81 -29.2 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.8 -33.6 52.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.2 mt -83.94 -33.45 24.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -77.4 -4.97 48.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.422 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.0 t -57.44 -37.73 73.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.876 0.369 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 41' ' ' PHE . 6.7 m-85 58.98 46.96 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -57.8 -45.68 85.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.651 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -121.2 167.2 13.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.489 179.651 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 23.5 Cg_endo -61.8 75.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.48 2.12 . . . . 0.0 112.55 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 39' ' ' ARG . 23.6 p90 -140.08 158.09 44.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -140.07 167.56 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.366 . . . . 0.0 111.069 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -135.89 129.71 32.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.783 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.84 96.82 9.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.888 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -59.8 120.81 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -36.13 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.995 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -100.61 -179.12 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.41 54.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 m 60.41 38.42 19.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -81.42 -1.52 45.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.37 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 60.26 69.06 0.72 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.846 0.355 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.54 10.18 11.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.611 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? 77.9 -49.34 0.49 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 111.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -105.31 117.63 34.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.625 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -95.37 109.3 21.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.66 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.472 ' HA ' HD13 ' A' ' 21' ' ' ILE . 14.6 t -78.42 135.82 37.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.138 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -142.09 124.56 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.716 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -91.68 165.69 13.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.6 t -141.37 138.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.063 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 m -135.93 113.05 10.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.63 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.06 167.23 23.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.165 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -85.67 133.06 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.5 t -122.81 140.77 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 31.5 t -113.46 -25.39 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.349 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.37 -175.35 0.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.876 0.369 . . . . 0.0 111.117 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -33.93 68.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -51.16 -57.2 9.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.4 mt-10 -61.82 -52.17 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.076 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.57 -52.91 4.62 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.468 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.84 -30.06 67.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -37.75 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 68' ' ' GLU . 4.0 mt -68.0 -30.55 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.02 -57.58 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.091 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.15 -29.64 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.8 -56.67 10.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.8 tp -62.55 -31.09 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m -97.43 22.52 8.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -60.54 -52.31 65.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.8 172.2 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -108.88 32.63 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -105.69 -55.69 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.794 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 34.8 m -44.45 135.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.595 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -119.33 -45.39 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -97.21 120.34 37.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -123.31 132.34 53.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.007 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.7 0.286 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.54 -26.97 69.75 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.572 2.181 . . . . 0.0 112.182 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -74.27 173.43 10.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.15 158.35 44.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.59 -175.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.86 134.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.04 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 91.6 10.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' O ' ' CG2' ' A' ' 9' ' ' THR . 52.4 Cg_endo -69.3 -30.81 23.8 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.562 2.175 . . . . 0.0 112.472 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 9.6 t 45.09 55.03 6.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.38 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.461 HG23 ' CE2' ' A' ' 12' ' ' TYR . 13.7 mm -140.14 96.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.799 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 mm -143.33 99.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.461 ' CE2' HG23 ' A' ' 10' ' ' ILE . 5.9 p90 -143.62 89.72 7.35 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.828 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.547 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.5 Cg_endo -89.15 68.43 2.42 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.543 2.162 . . . . 0.0 112.58 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.03 165.11 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.824 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 109.85 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -106.02 138.12 42.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.07 151.42 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.421 ' CE2' HG21 ' A' ' 72' ' ' ILE . 95.2 m-85 -128.85 103.79 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.039 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 100.12 4.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.499 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.3 t -121.15 126.1 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.573 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 56' ' ' SER . 1.8 mm -111.05 141.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.439 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -118.92 141.6 48.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.587 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.78 69.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.464 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 m -136.56 152.37 50.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.209 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -88.81 -14.15 37.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.222 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.97 49.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 110.921 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 p -77.51 -5.0 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.418 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -26.05 36.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.825 0.345 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 t -80.44 -33.48 36.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.412 . . . . 0.0 110.505 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 tp -80.74 -40.84 24.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -30.42 69.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -83.7 -29.65 27.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mp -72.17 -37.23 69.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.748 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mt -76.02 -31.75 59.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.1 -8.11 55.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.361 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.8 p -58.6 -44.92 90.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 111.035 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 56.18 35.44 25.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.22 -31.33 71.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -116.67 170.68 5.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.721 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 64.9 Cg_endo -74.03 59.02 4.33 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.519 2.146 . . . . 0.0 112.236 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -121.96 153.28 38.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -128.67 165.46 20.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -140.0 130.97 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -100.58 90.4 4.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.98 109.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -60.55 -35.83 76.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -137.34 176.92 8.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.9 -48.42 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -173.64 34.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -43.26 6.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.81 91.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.21 51.27 2.0 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 7.9 mttp -161.59 -50.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' A' ' 53' ' ' LYS . 7.7 m-85 -136.13 118.18 15.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -86.64 109.26 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.647 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.48 ' HA ' HD12 ' A' ' 21' ' ' ILE . 72.8 m -89.6 123.27 33.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -137.11 130.3 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.5 163.1 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 t -140.16 111.71 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.236 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.0 m -105.39 108.66 20.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.5 tpt -131.13 154.81 47.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.61 100.52 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.4 HG21 ' CD1' ' A' ' 72' ' ' ILE . 43.9 t -90.01 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 7.5 t -113.86 -28.73 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.09 -169.0 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.036 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.75 -36.41 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -51.7 -51.66 54.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.3 mt-10 -68.05 -53.08 28.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -31.36 0.93 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.373 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.67 -31.23 36.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.745 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.7 tt0 -81.9 -36.83 27.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 68' ' ' GLU . 4.4 mt -69.88 -30.58 44.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -77.36 -43.63 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.039 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -69.31 -30.34 68.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -67.59 -42.71 82.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.4 tp -71.39 -30.94 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.965 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t -99.5 26.34 6.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.769 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -35.52 78.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -176.89 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.27 29.77 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -98.59 -61.39 1.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 31.1 m -45.42 134.93 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.532 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.0 t -127.69 -39.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.7 132.3 46.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.9 p -140.59 137.93 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.964 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.722 0.296 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.99 61.39 3.88 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.654 2.236 . . . . 0.0 112.27 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -174.37 177.15 2.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -79.96 154.62 28.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -129.49 -45.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -69.96 170.74 10.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HG3' ' CG2' ' A' ' 9' ' ' THR . 3.3 ptmt -59.02 157.54 20.65 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 7' ' ' LYS . 29.3 Cg_endo -61.76 74.4 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.801 2.334 . . . . 0.0 112.497 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.454 ' CG2' ' HG3' ' A' ' 7' ' ' LYS . 10.2 t -146.34 73.2 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.698 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.463 ' CG2' ' CE2' ' A' ' 12' ' ' TYR . 25.8 mm -131.08 100.24 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.256 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 mm -144.74 99.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.159 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.463 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 2.4 p90 -148.48 89.46 5.1 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.529 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 61.0 Cg_endo -90.57 68.43 1.54 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.724 2.283 . . . . 0.0 112.536 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.38 174.34 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.794 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 61' ' ' MET . 0.2 OUTLIER -79.19 120.92 24.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -112.58 161.21 17.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.7 141.79 47.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.43 ' CE2' ' CE ' ' A' ' 61' ' ' MET . 46.6 m-85 -127.01 116.44 20.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.148 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 100.21 8.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.531 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.415 ' HB ' ' CZ ' ' A' ' 57' ' ' PHE . 21.7 t -110.85 125.24 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.418 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 56' ' ' SER . 1.3 mm -113.92 135.53 53.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.41 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.46 143.77 47.34 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.975 0.417 . . . . 0.0 110.581 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.44 69.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.448 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -132.68 152.39 51.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.65 26.58 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -150.14 48.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.645 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -75.5 -5.66 46.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.52 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -53.36 -27.21 22.51 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.88 0.371 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -81.18 -32.55 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.393 . . . . 0.0 110.382 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.5 tp -81.0 -42.51 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -34.8 62.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.01 -31.05 31.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.824 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.06 -25.59 43.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -88.26 -30.49 19.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.02 -11.06 48.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.358 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -56.45 -34.87 67.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 58.34 48.02 13.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -56.75 -47.52 79.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.766 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -112.93 167.19 9.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 35.4 Cg_endo -65.27 73.19 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.505 2.136 . . . . 0.0 112.432 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.407 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 27.9 p90 -140.02 160.91 38.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -136.09 157.96 45.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -130.19 120.71 24.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -96.43 89.85 5.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.663 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.23 136.58 58.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.424 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -84.13 -36.45 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.957 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -127.5 137.22 52.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -79.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.1 p -162.56 30.86 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.782 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -91.7 -34.97 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.783 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -72.5 92.61 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.76 53.53 2.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.16 -47.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -140.06 113.17 8.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -93.92 109.37 21.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.647 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.517 ' HA ' HD13 ' A' ' 21' ' ' ILE . 36.8 m -99.64 130.53 45.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.374 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CZ ' ' HB ' ' A' ' 20' ' ' VAL . 26.5 p90 -144.8 169.88 17.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.05 164.1 17.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.055 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -136.35 109.86 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -106.66 110.52 22.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.724 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.43 ' CE ' ' CE2' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -140.55 171.93 13.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.85 133.38 37.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 63.1 t -130.83 139.78 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 62.2 m -112.75 -29.28 7.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -175.58 -176.07 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.067 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -29.61 37.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -55.35 20.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.561 ' O ' HG13 ' A' ' 72' ' ' ILE . 4.2 mt-10 -63.76 -50.35 69.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.36 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -44.71 -32.1 1.4 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.37 -31.65 48.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.4 tt0 -82.48 -34.97 27.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 68' ' ' GLU . 5.1 mt -71.49 -25.96 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.269 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -42.29 23.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.323 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -24.92 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.19 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -49.66 21.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.057 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.4 tp -68.3 -29.69 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.944 0.402 . . . . 0.0 111.144 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 t -99.57 24.56 8.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.769 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -59.49 -36.84 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.71 -176.8 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -110.23 37.16 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.004 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -98.33 -61.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 30.8 m -46.37 135.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.608 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.0 t -129.41 -39.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.145 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.79 105.26 11.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -119.11 154.29 33.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.965 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.77 0.319 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.4 -46.08 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.589 2.193 . . . . 0.0 112.364 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.45 124.95 50.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.5 -177.05 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -70.63 -30.24 66.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -100.49 131.67 46.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 87.78 3.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' O ' ' CG2' ' A' ' 9' ' ' THR . 56.8 Cg_endo -70.62 -26.97 22.94 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.594 2.196 . . . . 0.0 112.568 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 9.7 t 44.74 53.92 6.99 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.252 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.45 HG22 ' CE2' ' A' ' 12' ' ' TYR . 14.6 mm -145.33 98.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.793 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.3 mm -143.39 99.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.45 ' CE2' HG22 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -140.24 89.6 10.81 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.82 179.323 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.2 Cg_endo -88.65 68.4 2.8 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.666 2.244 . . . . 0.0 112.472 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.05 164.76 29.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.18 117.27 14.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -115.0 133.51 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.04 153.43 21.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -131.57 105.52 7.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.155 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.07 101.6 4.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 t -120.1 126.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.434 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 56' ' ' SER . 1.7 mm -112.43 144.87 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.753 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.5 mtt -121.11 141.52 50.72 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.838 0.351 . . . . 0.0 110.509 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -124.43 69.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -139.22 155.31 47.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.32 28.61 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.84 31.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.3 p -71.15 -10.33 59.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.348 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.4 p -49.25 -32.27 10.38 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.749 0.309 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -64.11 -30.09 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -39.16 56.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.679 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -54.05 -25.84 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.043 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.1 -41.38 15.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.061 0.457 . . . . 0.0 110.419 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.31 -30.82 66.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 mt -82.73 -34.16 27.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -75.26 -8.14 55.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.537 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.1 p -51.07 -48.35 61.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.418 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m-85 61.75 31.67 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -56.82 -37.36 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.68 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.558 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 6.4 ptt85 -117.76 163.18 25.37 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.077 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.558 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 28.7 Cg_endo -63.04 70.48 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.374 2.049 . . . . 0.0 112.483 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 37' ' ' TYR . 12.3 p90 -133.15 142.82 48.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.72 165.33 20.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.001 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.73 132.11 32.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -101.06 93.09 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.621 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' A' ' 57' ' ' PHE . 3.4 m-85 -59.68 119.7 8.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.015 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -73.47 -35.79 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -131.36 132.33 44.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.5 m -99.16 -31.7 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.748 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.2 m -161.4 31.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -41.18 60.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.85 62.92 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.65 28.66 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.296 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 78.23 -48.71 0.47 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.4 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.77 121.18 43.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.341 . . . . 0.0 110.628 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -82.02 109.15 16.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.691 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.493 ' HA ' HD11 ' A' ' 21' ' ' ILE . 46.4 m -91.1 123.42 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CD2' ' CD1' ' A' ' 45' ' ' PHE . 19.4 m-85 -136.54 139.0 41.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 21.8 m-80 -102.58 160.47 14.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.801 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.4 112.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.252 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.81 110.31 22.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.9 tpt -131.81 152.33 51.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -76.06 106.74 7.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.6 t -94.54 141.29 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.526 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.1 m -110.22 -30.42 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.99 -177.21 1.85 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.836 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.55 -33.91 60.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.34 -55.63 17.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.524 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.1 mt-10 -60.39 -50.4 73.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.453 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -45.27 -30.45 1.24 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -79.16 -31.32 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.744 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.6 tt0 -84.85 -33.06 22.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.772 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 68' ' ' GLU . 5.2 mt -74.99 -28.8 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -79.71 -37.37 35.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -78.67 -28.09 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.029 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -69.32 -46.26 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.0 tp -68.8 -37.26 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.4 28.52 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.09 -35.8 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mp -82.18 -177.34 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.25 -21.31 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -63.92 0.96 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.9 m -45.73 147.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.449 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.7 t -132.19 -48.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.008 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -94.04 122.84 36.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -144.9 99.87 3.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.7 tp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.852 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' CB ' ' CD ' ' A' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 120.571 0.224 . . . . 0.0 111.476 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 1' ' ' MET . 59.1 Cg_endo -72.3 -27.93 15.79 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.449 2.1 . . . . 0.0 112.35 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.88 114.59 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -114.24 163.52 15.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -170.39 136.75 1.37 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -151.75 -178.1 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 103.81 51.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -83.54 14.81 2.28 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.693 2.262 . . . . 0.0 113.037 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -62.14 -17.79 58.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.378 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.413 HG23 ' CE2' ' A' ' 12' ' ' TYR . 26.4 mm -146.86 96.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.39 . . . . 0.0 111.117 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.421 HD12 HG23 ' A' ' 11' ' ' ILE . 27.3 mt -149.23 99.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.864 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.413 ' CE2' HG23 ' A' ' 10' ' ' ILE . 3.5 p90 -142.51 89.45 8.33 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.772 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.533 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 57.9 Cg_endo -89.09 68.93 2.42 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.598 2.199 . . . . 0.0 112.265 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.3 p -138.35 167.92 20.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.72 109.69 14.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -107.89 142.46 37.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.19 155.22 17.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.683 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.41 ' CE2' HG23 ' A' ' 72' ' ' ILE . 89.5 m-85 -136.53 107.43 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 101.05 7.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 t -114.05 118.55 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 56' ' ' SER . 2.4 mm -102.61 131.98 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.073 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.446 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -110.68 144.78 39.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.853 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 p -119.42 70.01 0.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.975 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.54 156.57 44.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 -15.68 20.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.247 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -111.12 46.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.961 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.5 p -77.81 -4.98 49.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.346 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 m -50.81 -33.69 24.55 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -74.35 -30.83 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.736 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 47.1 tp -82.21 -35.97 27.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -71.08 -20.28 62.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -90.11 -31.0 17.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.08 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 30' ' ' LEU . 2.0 pp -80.71 -21.27 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.2 mt -84.08 -30.06 26.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -83.55 -9.6 58.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.388 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -54.04 -28.83 41.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.825 0.345 . . . . 0.0 111.024 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 61.89 43.36 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -29.59 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.724 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -137.64 167.47 20.34 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.517 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 32.9 Cg_endo -64.65 70.94 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.527 2.151 . . . . 0.0 112.578 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 26.4 p90 -140.1 151.61 45.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.87 166.59 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.761 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.14 124.04 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.824 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.8 mm-40 -96.92 93.7 6.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.363 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.56 117.57 5.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.915 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.75 -35.85 51.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -125.1 145.86 49.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.6 p -126.57 97.0 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.04 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.87 33.72 19.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -44.13 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.26 90.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.8 23.18 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.51 -9.29 1.54 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.758 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -140.27 117.93 11.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -109.25 109.27 20.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 70.5 m -81.83 132.17 35.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.171 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -140.28 142.19 35.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.749 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.426 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 4.4 m120 -108.55 158.12 17.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.7 t -136.89 109.98 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.339 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.09 106.81 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.43 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ttt -135.18 150.02 50.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.009 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -79.89 99.86 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 52.0 t -81.18 145.05 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.815 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 22.7 t -114.67 -30.82 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.05 -171.08 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.982 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.12 -30.68 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 m -58.21 -52.48 65.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.506 ' O ' HG13 ' A' ' 72' ' ' ILE . 7.4 mm-40 -64.57 -52.83 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -42.9 -40.24 2.86 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.445 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.49 -34.17 73.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.1 tt0 -78.65 -38.61 39.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.5 mt -65.91 -27.23 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.0 -47.38 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.255 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -27.27 65.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.204 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -76.88 -43.09 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.024 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.2 tp -68.52 -34.93 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.378 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.9 t -99.56 27.15 5.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.834 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -67.21 -31.76 72.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.57 -175.67 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.95 29.32 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -58.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.6 m -50.52 136.95 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.468 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.81 -43.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -120.27 126.84 51.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.0 p -119.36 159.36 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.8 tp . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.891 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.694 0.283 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.77 -27.66 31.27 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.577 2.184 . . . . 0.0 112.267 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -105.54 124.15 49.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -120.05 105.38 10.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -73.85 -72.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm 63.17 144.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.45 132.56 7.31 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.78 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.15 -35.9 6.35 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.463 2.109 . . . . 0.0 112.45 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 t 44.39 48.18 8.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.348 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.433 HG23 ' CE2' ' A' ' 12' ' ' TYR . 13.8 mm -144.68 98.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.5 mm -143.41 99.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.078 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.433 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -142.77 89.63 8.02 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.797 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 66.7 Cg_endo -87.01 68.31 4.13 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.656 2.237 . . . . 0.0 112.401 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -141.1 161.97 36.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.6 116.88 12.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -114.07 138.59 50.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.13 155.9 19.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -138.88 101.52 4.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.88 106.32 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.573 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.6 t -122.45 126.09 73.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.5 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 56' ' ' SER . 1.2 mm -114.51 142.27 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.813 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.474 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 3.8 mtt -118.18 142.9 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.514 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -122.29 69.63 0.96 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.751 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.13 154.1 42.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.33 27.25 4.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.949 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.72 38.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.1 p -76.28 -5.11 45.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.419 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -49.99 -31.25 12.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -67.94 -44.88 75.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.758 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.1 tp -77.07 -32.59 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' CE ' ' CZ ' ' A' ' 57' ' ' PHE . 15.4 mtpt -70.02 -21.45 63.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.15 -28.26 19.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.348 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.66 -26.3 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.266 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.07 -20.55 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.197 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -27.66 21.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.251 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 t -54.34 -23.75 16.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.446 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 66.06 42.77 3.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -54.43 -43.76 71.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' HG3' ' CE1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -111.11 170.19 5.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.59 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 59.0 Cg_endo -72.42 61.67 3.49 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.436 2.091 . . . . 0.0 112.406 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.437 ' CE1' ' HG3' ' A' ' 39' ' ' ARG . 7.9 p90 -133.48 147.21 51.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -116.1 169.45 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -140.24 132.05 27.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 7.9 mt-10 -99.21 93.77 6.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.971 0.415 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -59.73 130.4 46.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.962 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -92.05 -35.71 13.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -136.3 -177.91 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 p -144.04 83.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 p 57.95 21.65 7.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.263 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.22 -45.49 5.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -64.44 91.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.5 55.82 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 2.5 mtpt -167.34 -54.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 7.3 m-85 -140.02 115.86 10.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.77 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -80.22 109.16 14.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.553 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.495 ' HA ' HD13 ' A' ' 21' ' ' ILE . 22.9 t -92.13 128.33 37.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.273 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CZ ' ' CE ' ' A' ' 31' ' ' LYS . 35.5 m-85 -145.78 133.94 21.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.576 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 4.3 t-20 -96.6 162.72 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.07 109.97 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.22 101.82 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.501 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.2 ttt -123.78 144.92 49.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.005 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.44 100.01 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.1 t -85.55 141.64 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.976 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 3.0 p -110.68 -31.27 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.45 -176.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -29.59 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -51.01 65.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.499 ' O ' HG13 ' A' ' 72' ' ' ILE . 5.6 mm-40 -68.85 -49.03 61.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.593 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -42.49 -40.41 2.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.442 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -31.98 59.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.4 mt-10 -76.61 -45.09 31.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 68' ' ' GLU . 2.4 mt -63.07 -28.18 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.216 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.18 -46.7 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.348 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.37 70.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.249 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -75.5 -57.46 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.4 tp -56.73 -36.34 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.056 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.1 m -103.77 24.95 10.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.48 -31.57 60.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -176.93 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.24 -19.96 16.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.05 -68.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 111.124 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 26.1 m -47.46 136.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.478 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.6 t -128.46 -40.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -100.28 113.92 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.8 p -120.33 114.76 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.884 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.69 0.281 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.63 -34.25 5.8 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.533 2.155 . . . . 0.0 112.255 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -59.54 105.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t0 59.88 83.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -163.02 174.02 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.5 126.55 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.53 159.32 17.68 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.01 -18.47 43.29 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.508 2.138 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.3 m -80.07 69.71 6.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.956 0.408 . . . . 0.0 110.564 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 HG23 ' CE2' ' A' ' 12' ' ' TYR . 26.6 mm -139.81 97.04 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.023 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.2 mm -143.82 99.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.977 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.456 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.1 p90 -135.11 89.58 23.49 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.504 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 66.3 Cg_endo -87.67 68.58 3.57 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.471 2.114 . . . . 0.0 112.443 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.55 162.98 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.05 121.14 17.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -118.51 141.25 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.1 147.39 23.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.563 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.458 ' CD1' ' CZ ' ' A' ' 73' ' ' PHE . 61.2 m-85 -128.65 109.16 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.029 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 101.4 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.565 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.2 t -118.24 117.69 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.488 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' A' ' 56' ' ' SER . 2.3 mm -108.75 136.22 45.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.446 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -112.43 146.04 39.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.946 0.403 . . . . 0.0 110.752 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.4 p -122.78 69.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 m -134.51 157.27 46.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -100.67 29.89 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -162.79 49.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -77.15 -4.97 47.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.399 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -50.69 -30.3 13.39 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.6 t -74.43 -30.21 61.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -36.38 57.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -59.29 -31.63 69.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -83.74 -28.61 28.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.73 -28.81 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mt -89.94 -29.83 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -75.86 -13.16 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.488 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -56.75 -41.24 77.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.858 0.361 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 58.86 42.54 19.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.62 -48.43 81.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.07 171.37 4.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.65 74.8 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.765 2.31 . . . . 0.0 112.475 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -140.02 152.45 46.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.997 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -135.38 162.47 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.677 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mp -140.16 129.19 23.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -99.62 92.81 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.558 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -59.65 115.06 3.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.908 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -35.71 72.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -131.1 -176.91 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 p -111.42 -78.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 p -152.34 31.22 0.53 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -99.29 -48.14 4.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -73.08 71.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.818 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.87 -27.79 69.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -66.78 -61.11 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -129.73 115.08 16.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -88.2 109.25 19.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.645 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.421 ' HA ' HD11 ' A' ' 21' ' ' ILE . 74.1 m -86.05 129.32 34.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.173 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -142.93 131.47 22.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.03 161.32 14.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.755 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.9 t -139.82 113.71 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.549 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.17 101.0 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.264 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.2 ttt -121.79 150.66 41.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.9 99.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.716 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 45.6 t -87.36 136.89 22.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 45.5 t -107.7 -31.31 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.97 -172.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -57.3 -32.16 66.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.024 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.2 m -56.33 -52.96 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.78 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.575 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -64.09 -51.76 62.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.312 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -42.36 -37.29 1.51 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.542 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -29.92 57.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -82.41 -33.93 28.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 68' ' ' GLU . 5.5 mt -71.32 -27.22 28.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.271 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.458 ' CZ ' ' CD1' ' A' ' 18' ' ' TYR . 2.7 m-85 -80.22 -46.24 16.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.477 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -70.42 -29.47 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.236 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -75.21 -39.57 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.7 tp -71.72 -32.88 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.7 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.3 m -100.36 23.91 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.929 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -65.74 -30.96 71.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.14 -176.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.24 30.81 7.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -109.27 -52.56 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 28.0 m -49.4 125.52 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.412 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 81.3 t -120.64 -35.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.169 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.92 110.44 19.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.018 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.5 p -122.32 156.42 33.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.524 -0.053 0 CA-C-O 120.818 0.342 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 62.3 Cg_endo -89.93 68.94 1.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.715 2.277 . . . . 0.0 112.449 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.86 178.89 7.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.093 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 61' ' ' MET . 6.2 tp -74.6 124.52 26.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.499 ' CD1' ' CZ ' ' A' ' 18' ' ' TYR . 3.2 t-105 -108.38 141.2 40.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -112.47 128.34 56.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.546 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CZ ' ' CD1' ' A' ' 16' ' ' TRP . 54.9 m-85 -122.32 123.54 41.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.178 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.575 ' HG3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -82.67 99.77 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.299 179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.872 ' C ' HD13 ' A' ' 21' ' ' ILE . 26.0 t -111.02 122.99 66.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.407 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.872 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.3 mm -115.28 143.97 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.551 ' CG ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.76 150.02 41.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.691 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.708 ' OG1' HG21 ' A' ' 83' ' ' VAL . 11.9 p -125.94 69.68 1.2 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.727 HG21 ' HD3' ' A' ' 81' ' ' LYS . 1.2 m -149.45 154.34 38.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.04 29.01 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -145.76 33.94 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -77.02 -4.97 46.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.411 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -51.99 -29.83 22.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.79 0.329 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -71.9 -30.15 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.745 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.43 -46.08 16.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.698 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -58.16 -22.11 49.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -90.3 -30.04 17.73 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.645 ' O ' HG22 ' A' ' 36' ' ' THR . 1.4 pp -87.37 -30.65 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.3 mt -77.3 -25.37 51.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.799 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -5.31 59.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.588 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 33' ' ' LEU . 12.8 t -56.22 -36.93 69.0 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.851 0.358 . . . . 0.0 110.964 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 60.06 45.15 12.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' H ' HG23 ' A' ' 36' ' ' THR . 7.5 mm-40 -59.38 -57.6 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -106.09 170.67 5.56 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 38.6 Cg_exo -61.29 74.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.562 2.174 . . . . 0.0 112.593 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' ARG . 16.4 p90 -140.11 154.03 46.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -140.12 166.9 23.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mp -138.91 132.32 30.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.38 97.97 9.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.613 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -59.56 128.18 35.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HG3' ' HB3' ' A' ' 56' ' ' SER . 13.0 mmtp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -80.45 109.11 14.64 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.313 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.64 ' HA ' HD12 ' A' ' 21' ' ' ILE . 68.8 m -95.65 133.83 39.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.377 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -148.41 136.9 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -97.09 161.94 13.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.725 0.298 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.438 HG12 ' SD ' ' A' ' 61' ' ' MET . 14.9 t -137.59 110.32 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.565 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.13 115.19 27.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.281 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.802 ' HG3' HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -146.05 162.2 38.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.953 0.406 . . . . 0.0 111.343 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.96 125.4 26.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.297 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 94.7 t -123.61 141.45 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.448 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.1 t -111.47 -29.81 7.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.44 -175.02 0.52 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.08 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -32.79 39.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -54.48 19.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.981 0.42 . . . . 0.0 110.561 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.572 ' O ' HG13 ' A' ' 72' ' ' ILE . 3.6 mt-10 -67.98 -52.61 33.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.147 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -30.36 1.24 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.71 -30.44 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.734 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' GLU . 4.0 tp10 -84.5 -34.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.802 HD13 ' HG3' ' A' ' 61' ' ' MET . 5.7 mt -71.72 -28.87 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -76.63 -36.2 57.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -80.06 -27.04 39.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -75.56 -40.1 57.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.015 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.8 tp -72.8 -31.54 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.03 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.0 t -100.49 26.24 6.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -52.94 62.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.28 -175.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -119.08 31.39 6.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.727 ' HD3' HG21 ' A' ' 24' ' ' THR . 18.8 mmtp -101.15 -56.49 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.762 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.551 HG12 ' CG ' ' A' ' 22' ' ' MET . 35.4 m -47.38 137.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.488 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.708 HG21 ' OG1' ' A' ' 23' ' ' THR . 69.5 t -123.25 -44.66 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.84 131.61 52.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.543 HG22 HG13 ' A' ' 20' ' ' VAL . 63.8 p -134.69 152.84 52.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.7 p90 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.756 0.313 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 60.9 Cg_endo -89.91 67.42 2.02 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.72 2.28 . . . . 0.0 112.223 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.2 p -139.63 170.05 16.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.59 112.01 17.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -106.95 141.32 38.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.02 145.45 24.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.714 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.402 ' CE2' HG21 ' A' ' 72' ' ' ILE . 85.2 m-85 -125.31 106.16 9.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.462 ' HD3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -75.77 100.01 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.465 179.774 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.784 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.4 t -117.81 127.69 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.44 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.784 HD13 ' C ' ' A' ' 20' ' ' VAL . 2.2 mm -117.66 137.41 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.887 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.8 mtt -114.65 144.5 43.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 111.012 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.535 ' OG1' HG21 ' A' ' 83' ' ' VAL . 8.1 p -122.65 69.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.389 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.698 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -149.96 149.18 30.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.031 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 0.16 55.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.352 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.09 37.79 3.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.884 0.373 . . . . 0.0 110.811 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 p -77.21 -4.94 47.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.403 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.34 -30.15 4.64 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 30' ' ' LEU . 9.3 t -72.71 -45.77 57.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.562 HD23 ' SD ' ' A' ' 22' ' ' MET . 13.5 tp -75.18 -29.88 60.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.83 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -33.4 67.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -87.25 -28.62 22.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.855 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 36' ' ' THR . 0.2 OUTLIER -71.08 -28.33 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.732 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.4 mt -89.87 -32.02 17.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.27 -8.06 59.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.479 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 33' ' ' LEU . 9.8 t -60.06 -40.79 90.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.439 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 13.7 m-85 58.64 44.93 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.11 -44.33 95.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 6.6 ptp85 -111.2 168.44 7.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.529 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 23.5 Cg_exo -65.11 65.0 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.681 2.254 . . . . 0.0 112.623 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 37' ' ' TYR . 17.6 p90 -128.78 141.92 51.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.772 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -120.42 167.19 12.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.07 137.56 34.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.046 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -104.63 92.07 4.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.475 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -59.67 114.4 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.961 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.814 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.437 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 3.5 m-85 -112.43 109.45 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.736 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.707 ' CB ' HD12 ' A' ' 21' ' ' ILE . 71.0 m -82.61 142.28 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 55' ' ' TYR . 94.6 m-85 -149.88 135.17 18.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.29 159.24 15.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.602 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.819 HG21 HD13 ' A' ' 76' ' ' ILE . 9.2 t -135.94 112.47 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.349 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.95 105.93 16.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.653 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.1 tpt -129.02 150.94 50.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.896 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -77.43 99.73 5.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.785 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.514 HG22 HD12 ' A' ' 72' ' ' ILE . 47.3 t -84.3 141.83 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 1.3 m -113.65 -31.39 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.32 -175.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -28.18 27.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.019 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -61.8 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.759 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.533 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.0 mt-10 -62.77 -50.7 70.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.414 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 ttt-85 -42.62 -42.27 3.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.426 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.07 -34.99 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -76.64 -40.92 47.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.842 179.662 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 68' ' ' GLU . 2.9 mt -62.8 -28.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -78.35 -52.63 8.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -67.25 -26.87 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -69.02 -45.85 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.819 HD13 HG21 ' A' ' 59' ' ' VAL . 2.8 tp -72.33 -34.39 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.5 m -97.84 28.52 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -54.42 47.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.3 -175.68 3.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.02 28.03 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.698 ' HD3' HG21 ' A' ' 24' ' ' THR . 9.7 mmtm -90.45 -63.98 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.887 HG12 ' HG2' ' A' ' 22' ' ' MET . 35.1 m -43.74 144.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.626 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.535 HG21 ' OG1' ' A' ' 23' ' ' THR . 60.6 t -118.55 -50.55 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -104.8 109.97 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.5 t -128.03 122.27 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.876 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.405 ' HE1' HG11 ' A' ' 63' ' ' VAL . 3.7 p90 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.762 0.315 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 59.3 Cg_endo -91.24 68.18 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.759 2.306 . . . . 0.0 112.559 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.23 178.99 9.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.716 HD22 ' HA ' ' A' ' 62' ' ' GLU . 1.2 mm? -69.84 111.54 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -103.79 136.12 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.26 141.35 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.759 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -126.6 108.94 11.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -77.77 99.94 6.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.712 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.4 t -115.81 118.51 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.355 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -113.44 136.36 50.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.973 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.481 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -113.53 145.54 41.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.667 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.714 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.2 p -123.1 69.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.122 0.487 . . . . 0.0 110.708 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.49 167.83 21.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.44 -12.53 17.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.249 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -109.87 41.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 p -78.07 -4.84 49.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.293 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -50.08 -36.97 31.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.921 0.391 . . . . 0.0 111.036 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -70.7 -28.11 64.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.683 HD12 ' HG3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -78.09 -36.46 48.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -62.83 -31.49 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.76 -28.93 30.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.94 -36.9 67.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.656 HD22 HD21 ' A' ' 43' ' ' LEU . 3.1 mt -77.54 -30.49 52.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.31 -4.91 53.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.381 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -53.18 -47.28 68.96 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.822 0.344 . . . . 0.0 111.223 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 62.36 33.76 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -62.26 -45.97 90.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -109.14 167.69 8.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.511 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 42.7 Cg_endo -67.77 63.89 0.89 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.562 2.175 . . . . 0.0 112.387 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -129.59 147.47 51.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.97 167.72 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.778 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.656 HD21 HD22 ' A' ' 34' ' ' LEU . 2.8 mp -140.13 133.12 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 4.9 mt-10 -97.53 95.07 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -59.79 118.43 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.001 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.733 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 5.1 m-85 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.906 0.384 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -97.23 109.26 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.421 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.756 ' HA ' HD12 ' A' ' 21' ' ' ILE . 58.7 m -89.52 131.87 35.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.461 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 56' ' ' SER . 36.0 m-85 -147.86 131.8 17.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.476 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 1.2 t-20 -97.04 164.43 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.15 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 76' ' ' ILE . 6.6 t -138.68 115.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.232 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -109.57 102.46 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.672 ' C ' HD13 ' A' ' 15' ' ' LEU . 9.2 tpt -127.16 147.2 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.685 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.716 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.9 tt0 -69.85 99.92 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.555 HG22 HD12 ' A' ' 72' ' ' ILE . 50.6 t -91.84 144.19 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -114.58 -25.42 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.67 -177.88 0.84 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.774 0.321 . . . . 0.0 111.005 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -54.5 -35.69 63.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.8 t -50.49 -52.91 34.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.027 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.526 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.6 mt-10 -64.88 -53.92 39.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.25 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -44.32 -38.93 4.21 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.263 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -67.97 -34.36 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.589 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' GLU . 22.2 tt0 -81.64 -35.23 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.555 HD12 HG22 ' A' ' 63' ' ' VAL . 3.5 mt -69.3 -29.31 41.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.004 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -75.91 -44.31 40.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.14 -28.26 67.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -74.16 -51.01 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.65 HG12 HG21 ' A' ' 20' ' ' VAL . 6.2 tp -66.28 -28.12 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.069 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.6 t -99.53 22.15 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -59.07 -54.43 47.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 79' ' ' LEU . 4.3 mm? -62.31 176.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.27 30.51 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.683 ' HG3' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -98.66 -45.55 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.733 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 28.8 m -51.33 126.11 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.36 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.714 HG21 ' OG1' ' A' ' 23' ' ' THR . 67.2 t -121.71 -35.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -127.59 117.8 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.3 t -127.8 172.05 11.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.782 0.325 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.7 Cg_endo -89.48 68.57 2.21 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.623 2.215 . . . . 0.0 112.447 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.98 169.57 17.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.768 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' C ' ' A' ' 61' ' ' MET . 0.9 OUTLIER -76.68 119.2 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -114.24 135.95 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -91.55 145.94 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -124.97 104.83 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.748 ' HD3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -74.65 99.89 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.64 179.72 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.83 ' C ' HD13 ' A' ' 21' ' ' ILE . 20.9 t -117.74 123.19 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.499 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.83 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.6 mm -114.59 140.92 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.778 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.695 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -122.46 152.16 40.56 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.96 0.41 . . . . 0.0 110.794 -179.811 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.636 HG22 ' HB ' ' A' ' 83' ' ' VAL . 2.8 t -129.46 69.59 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.535 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.599 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -144.81 158.32 43.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.073 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 -3.07 33.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.334 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.01 36.06 3.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.1 p -77.51 -4.9 47.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.463 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.407 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 6.9 p -51.87 -25.9 8.95 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.768 0.318 . . . . 0.0 111.247 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.803 ' O ' HD12 ' A' ' 33' ' ' LEU . 4.7 t -81.93 -34.48 29.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.997 0.427 . . . . 0.0 110.506 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' HG ' HD11 ' A' ' 34' ' ' LEU . 25.6 tp -79.93 -37.79 33.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.938 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -62.34 -29.09 70.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -83.85 -31.0 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 29' ' ' THR . 1.4 mt -72.15 -29.07 63.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.039 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.492 HD11 ' HG ' ' A' ' 30' ' ' LEU . 9.6 mt -90.16 -32.46 16.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -75.72 -24.69 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.257 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 33' ' ' LEU . 10.6 t -56.77 -35.91 69.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 59.17 47.87 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.89 -60.93 3.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HG3' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -93.27 164.8 20.06 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.34 79.55 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.659 2.239 . . . . 0.0 112.586 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 39' ' ' ARG . 46.0 p90 -140.08 168.83 18.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.774 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -140.11 166.81 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.739 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.22 130.45 25.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 2.5 mt-10 -98.26 94.91 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.552 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -59.7 115.14 3.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.792 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.757 179.864 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.848 0.356 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -88.55 109.17 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.477 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.644 ' HA ' HD12 ' A' ' 21' ' ' ILE . 69.7 m -98.11 130.98 44.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.217 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -149.11 130.43 14.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.705 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 1.3 t-20 -91.36 164.93 13.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 76' ' ' ILE . 9.5 t -139.33 111.85 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.416 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.61 105.08 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.758 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.511 ' C ' HD23 ' A' ' 15' ' ' LEU . 14.4 tpt -123.8 153.52 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.67 99.9 4.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.577 HG22 HD12 ' A' ' 72' ' ' ILE . 47.2 t -88.23 137.04 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 6.0 m -113.4 -28.33 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.06 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.15 -166.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.056 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.69 -30.61 69.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.4 m -55.28 -50.82 68.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.754 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.608 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -68.09 -54.9 14.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.0 ttt85 -43.41 -35.33 1.54 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.456 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -77.09 -29.48 54.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.642 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' GLU . 20.7 tt0 -82.9 -34.67 26.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 68' ' ' GLU . 6.5 mt -69.68 -28.34 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.068 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -81.41 -45.99 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.231 -179.715 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -67.19 -40.22 86.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 111.022 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.62 -50.3 73.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.521 HD13 HG21 ' A' ' 59' ' ' VAL . 5.5 tp -63.11 -35.77 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.025 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -99.21 26.62 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -40.63 90.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 173.14 8.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -105.96 29.8 6.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.046 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.599 ' HD3' HG21 ' A' ' 24' ' ' THR . 16.7 mmtt -98.35 -56.46 2.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.655 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.695 HG12 ' HG3' ' A' ' 22' ' ' MET . 29.4 m -46.77 133.42 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.414 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.636 ' HB ' HG22 ' A' ' 23' ' ' THR . 66.7 t -127.47 -38.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.136 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.92 107.15 16.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -110.39 169.46 8.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 86' ' ' LEU . 7.1 tt . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 91.3 Cg_endo -83.73 68.73 6.85 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.312 2.008 . . . . 0.0 112.139 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -139.28 170.87 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.309 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.555 HD13 ' C ' ' A' ' 61' ' ' MET . 4.1 mm? -77.3 115.57 17.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -111.27 141.29 44.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -97.65 146.8 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.756 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -129.42 107.05 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.744 ' HD3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -78.33 99.91 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.726 HG21 HG12 ' A' ' 76' ' ' ILE . 18.9 t -112.27 120.13 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 56' ' ' SER . 1.8 mm -109.89 134.33 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.153 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.483 ' HG2' HG12 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -112.18 145.85 39.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.761 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.1 p -120.53 69.95 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.657 HG21 ' HD3' ' A' ' 81' ' ' LYS . 1.4 m -144.29 165.24 28.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -102.2 -10.1 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.08 44.13 1.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.002 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.7 p -78.49 -4.97 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 m -50.58 -29.41 10.74 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.763 0.316 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 t -71.42 -30.06 65.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -80.42 -46.15 16.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -58.52 -30.62 67.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -83.12 -27.54 30.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.82 -35.87 22.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 30' ' ' LEU . 10.1 mt -74.93 -29.06 60.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.35 -5.05 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.547 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.4 p -57.4 -46.62 83.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.751 0.31 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.43 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 4.9 m-85 60.3 35.79 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -62.91 -22.5 66.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.411 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -127.96 165.23 31.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.0 71.81 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.557 2.172 . . . . 0.0 112.623 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 37' ' ' TYR . 27.5 p90 -140.1 157.09 46.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.724 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -136.68 165.7 25.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -140.05 131.06 26.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.0 OUTLIER -99.65 94.53 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.957 0.408 . . . . 0.0 110.513 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -59.62 118.25 5.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.874 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 6.5 m-85 -98.14 109.3 22.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.542 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.789 ' HA ' HD12 ' A' ' 21' ' ' ILE . 19.4 m -88.43 126.75 35.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.215 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 55' ' ' TYR . 68.1 m-85 -136.46 137.69 40.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.785 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.432 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 3.1 m-20 -103.76 160.22 14.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.439 HG21 HD13 ' A' ' 76' ' ' ILE . 5.6 t -139.5 113.47 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.376 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.34 101.6 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.759 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.555 ' C ' HD13 ' A' ' 15' ' ' LEU . 13.1 tpt -124.27 154.57 40.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.538 ' HG2' HD21 ' A' ' 15' ' ' LEU . 20.6 mt-10 -76.89 105.9 8.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.58 HG22 HD12 ' A' ' 72' ' ' ILE . 66.9 t -92.98 138.8 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 45.8 m -112.48 -29.14 7.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.82 -172.8 0.55 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -31.71 63.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -54.47 -53.43 54.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.542 ' O ' HG13 ' A' ' 72' ' ' ILE . 9.3 mm-40 -63.56 -51.8 63.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.438 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -45.12 -30.17 1.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.322 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -79.04 -33.09 45.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.694 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.3 tt0 -81.88 -37.85 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.624 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.58 HD12 HG22 ' A' ' 63' ' ' VAL . 4.0 mt -68.88 -28.58 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.454 ' CZ ' HG21 ' A' ' 85' ' ' THR . 16.2 t80 -78.59 -49.4 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -70.5 -29.68 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -48.5 70.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.168 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.726 HG12 HG21 ' A' ' 20' ' ' VAL . 7.0 tp -67.79 -31.14 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.096 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 p -97.02 24.04 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.486 ' OE1' HD12 ' A' ' 79' ' ' LEU . 7.1 tm0? -58.34 -42.8 87.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.486 HD12 ' OE1' ' A' ' 78' ' ' GLN . 6.3 mp -79.82 -178.98 6.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -110.24 29.64 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.657 ' HD3' HG21 ' A' ' 24' ' ' THR . 5.3 mmpt? -96.87 -55.25 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.483 HG12 ' HG2' ' A' ' 22' ' ' MET . 35.4 m -46.12 132.7 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.437 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.761 HG21 ' OG1' ' A' ' 23' ' ' THR . 59.0 t -120.17 -42.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.928 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.04 131.18 56.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.688 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.454 HG21 ' CZ ' ' A' ' 73' ' ' PHE . 8.4 t -132.23 148.3 52.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.413 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.837 0.351 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 92.3 Cg_endo -84.4 68.85 6.33 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.214 1.943 . . . . 0.0 112.147 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.7 p -138.29 169.1 18.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.02 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 62' ' ' GLU . 2.9 mm? -79.12 118.29 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.731 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -118.42 136.98 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -92.32 151.35 20.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.648 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -127.93 107.4 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.068 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 100.04 5.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.909 HG13 HG22 ' A' ' 85' ' ' THR . 21.5 t -114.06 124.32 70.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.47 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.3 mm -111.71 128.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.701 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.845 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.8 mtm -110.79 138.9 46.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.632 HG22 ' HB3' ' A' ' 54' ' ' PHE . 7.7 p -118.21 69.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.586 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.638 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -144.44 153.88 42.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.15 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -99.3 28.19 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -144.61 39.99 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.764 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 p -77.02 -4.8 46.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.531 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -51.01 -26.82 6.61 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.831 0.348 . . . . 0.0 111.017 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 t -77.28 -27.92 53.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.514 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.71 HD13 ' SD ' ' A' ' 22' ' ' MET . 0.2 OUTLIER -83.78 -47.95 10.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -52.73 -27.5 17.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.109 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -89.2 -32.78 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.765 ' O ' HG22 ' A' ' 36' ' ' THR . 3.3 mp -78.05 -28.7 48.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.971 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 43' ' ' LEU . 43.3 mt -84.87 -28.09 26.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -88.08 -18.47 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.36 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 33' ' ' LEU . 13.0 t -51.76 -30.3 22.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.782 0.325 . . . . 0.0 111.031 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 62.21 41.95 10.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' H ' HG23 ' A' ' 36' ' ' THR . 8.8 mm-40 -59.52 -49.87 76.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -112.58 170.64 5.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.686 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.44 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 11.9 Cg_exo -71.09 60.29 2.38 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.716 2.277 . . . . 0.0 112.537 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HE2' HD11 ' A' ' 43' ' ' LEU . 2.7 p90 -126.66 141.74 51.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.983 0.421 . . . . 0.0 110.851 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 3.3 tppt? -115.95 157.52 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.643 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.518 HD13 ' HB3' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -129.91 127.44 40.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.42 90.96 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.654 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.72 109.98 1.04 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.97 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.632 ' HB3' HG22 ' A' ' 23' ' ' THR . 6.6 p90 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 120.797 0.332 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.85 109.29 22.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.761 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 18.4 m -72.27 132.49 44.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.478 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -142.77 142.88 32.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.1 161.44 14.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.406 HG21 ' CD1' ' A' ' 76' ' ' ILE . 7.5 t -143.01 109.97 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.323 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -104.42 114.29 28.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.513 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.601 ' C ' HD13 ' A' ' 15' ' ' LEU . 9.5 tpt -134.29 152.75 51.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.007 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.608 ' HA ' HD22 ' A' ' 15' ' ' LEU . 1.7 tt0 -70.0 100.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.589 HG22 HD12 ' A' ' 72' ' ' ILE . 57.8 t -89.9 138.88 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -107.31 -31.15 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.817 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -176.74 -177.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -30.47 22.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -55.0 -53.83 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.74 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -65.9 -51.05 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.453 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -43.82 -31.85 0.93 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.65 -33.01 41.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.788 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' GLU . 9.6 tt0 -80.67 -37.81 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.589 HD12 HG22 ' A' ' 63' ' ' VAL . 3.9 mt -68.74 -29.16 42.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.07 -47.97 19.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.246 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -71.95 -30.84 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -68.67 -42.07 78.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.077 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.406 ' CD1' HG21 ' A' ' 59' ' ' VAL . 5.0 tp -72.48 -34.39 48.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 m -97.76 28.15 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -51.94 67.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.93 -176.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.97 30.85 6.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.638 ' HD3' HG21 ' A' ' 24' ' ' THR . 5.0 mmtm -96.68 -52.55 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.845 HG12 ' HG2' ' A' ' 22' ' ' MET . 29.5 m -50.37 140.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.502 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.507 HG21 ' OG1' ' A' ' 23' ' ' THR . 67.5 t -130.9 -42.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.009 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -113.62 106.4 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.909 HG22 HG13 ' A' ' 20' ' ' VAL . 38.1 p -109.88 148.96 30.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.2 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.919 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 CA--C 1.524 -0.042 0 CA-C-O 120.842 0.353 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.9 Cg_endo -88.28 69.1 3.02 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.557 2.171 . . . . 0.0 112.214 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 p -133.58 -171.99 2.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.865 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 62' ' ' GLU . 4.5 mm? -99.24 107.09 19.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -107.12 148.9 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -101.38 162.02 13.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.443 ' CE2' HG21 ' A' ' 72' ' ' ILE . 93.1 m-85 -134.47 104.72 6.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -80.14 99.81 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.675 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.623 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.4 t -117.46 126.48 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.402 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.5 mm -112.85 129.93 67.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.468 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 1.2 mtt -115.19 143.58 45.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.741 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.772 ' OG1' HG21 ' A' ' 83' ' ' VAL . 6.1 p -120.81 69.84 0.89 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.669 HG21 ' HE3' ' A' ' 81' ' ' LYS . 1.5 m -138.42 149.22 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -96.65 22.94 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -137.68 41.23 2.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.977 0.418 . . . . 0.0 110.472 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -71.53 -8.71 55.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.485 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.432 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 33.1 t -50.18 -33.15 18.25 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -76.6 -28.66 56.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.345 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.563 HD21 HD11 ' A' ' 34' ' ' LEU . 2.7 tp -80.78 -41.94 22.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.76 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 6.4 ptpt -60.3 -21.87 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.23 -33.46 16.16 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.386 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.558 ' C ' HD12 ' A' ' 33' ' ' LEU . 2.2 pp -81.58 -23.04 37.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.228 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.563 HD11 HD21 ' A' ' 30' ' ' LEU . 95.4 mt -81.77 -28.56 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -89.93 -4.77 57.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.431 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 38' ' ' GLN . 12.1 t -47.08 -33.55 5.06 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.752 0.31 . . . . 0.0 111.246 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.24 39.34 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.535 ' H ' HG23 ' A' ' 36' ' ' THR . 4.3 mm-40 -60.97 -55.57 31.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 1.4 ptt85 -112.11 166.88 10.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.649 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 35.2 Cg_endo -65.08 75.1 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.443 2.096 . . . . 0.0 112.391 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -139.18 162.7 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.05 162.75 34.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.763 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -134.27 128.45 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.05 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -96.99 93.6 6.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.76 109.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.807 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.901 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CD2' ' CG2' ' A' ' 23' ' ' THR . 2.3 m-85 . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.897 0.38 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -96.05 109.38 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 70.6 m -77.69 134.68 38.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.473 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -141.96 138.68 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.706 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -108.77 157.6 18.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -138.78 114.89 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 112.83 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.7 tpt -137.37 145.4 43.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.655 ' HA ' HD13 ' A' ' 15' ' ' LEU . 11.8 tt0 -69.97 103.84 2.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 92.1 t -89.66 141.78 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.5 m -110.66 -31.24 7.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.775 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -167.39 179.86 4.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -30.94 63.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -53.8 28.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -67.15 -50.86 59.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -41.86 -38.88 1.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.531 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -74.58 -34.06 62.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.684 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.3 tt0 -76.35 -41.25 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.016 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.0 mt -63.6 -28.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.054 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.416 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -80.47 -51.28 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.167 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -27.09 68.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -74.74 -44.14 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 73' ' ' PHE . 5.8 tp -71.04 -35.43 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.436 ' HB3' HG21 ' A' ' 82' ' ' VAL . 19.1 m -100.22 26.89 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -53.3 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.443 HD12 HD21 ' A' ' 33' ' ' LEU . 4.2 mt -60.84 -179.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.02 31.42 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.669 ' HE3' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -93.76 -47.13 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.8 m -53.38 141.89 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.391 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.772 HG21 ' OG1' ' A' ' 23' ' ' THR . 98.1 t -127.3 -46.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -121.05 106.77 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 p -87.92 154.24 20.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.723 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.966 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.753 0.311 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 57.8 Cg_endo -91.67 68.41 1.03 Allowed 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.826 2.351 . . . . 0.0 112.539 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.6 169.0 18.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 61' ' ' MET . 4.0 mm? -70.24 108.85 4.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -106.06 137.4 44.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.91 150.31 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -129.13 110.01 11.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -76.35 101.97 5.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.685 ' C ' HD13 ' A' ' 21' ' ' ILE . 17.0 t -123.72 124.89 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.377 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.5 mm -113.89 140.38 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.566 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -115.56 148.32 39.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.52 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.522 HG22 ' HB ' ' A' ' 83' ' ' VAL . 1.4 t -126.39 69.47 1.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.669 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.643 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -140.35 149.3 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.062 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -15.06 40.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.289 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' O ' HG22 ' A' ' 29' ' ' THR . 31.7 t70 -109.66 45.0 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 24' ' ' THR . 72.5 p -77.82 -4.91 48.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.37 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -52.53 -30.65 31.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 26' ' ' ASP . 2.2 t -71.11 -27.21 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.813 HD12 ' HG3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -80.29 -44.41 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -56.39 -30.62 62.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -85.35 -28.2 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD22 HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -81.03 -38.55 27.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.651 HD11 HD22 ' A' ' 30' ' ' LEU . 16.5 mt -71.93 -30.6 65.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.26 -13.14 60.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.391 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.4 p -55.78 -44.47 77.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 58.8 38.93 24.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.25 -31.51 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.19 167.57 12.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.88 65.35 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.427 2.084 . . . . 0.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -134.17 152.87 52.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -132.24 169.31 16.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.79 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mp -139.94 129.58 24.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.4 94.91 6.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.53 109.91 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.578 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.172 -179.705 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.874 0.368 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -87.16 109.2 19.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.709 ' HA ' HD12 ' A' ' 21' ' ' ILE . 23.7 m -90.0 127.91 36.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.008 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -143.46 126.29 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -88.98 162.0 16.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.746 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 t -138.52 110.78 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.456 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -103.45 99.95 9.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.518 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.589 ' C ' HD13 ' A' ' 15' ' ' LEU . 11.9 ttt -120.27 152.56 37.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.71 99.91 2.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.568 HG22 HD12 ' A' ' 72' ' ' ILE . 60.7 t -91.86 138.66 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 23.6 t -109.22 -28.02 9.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.787 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.48 -171.07 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.0 -37.69 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.4 m -49.46 -55.14 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.276 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.534 ' O ' HG13 ' A' ' 72' ' ' ILE . 4.9 mm-40 -62.05 -52.53 63.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.5 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -41.76 -50.21 4.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.548 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -61.2 -32.48 72.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.391 . . . . 0.0 110.654 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.5 tt0 -78.61 -41.3 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.834 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.568 HD12 HG22 ' A' ' 63' ' ' VAL . 3.0 mt -65.05 -25.7 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.426 ' CZ ' ' HB ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -77.3 -39.19 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.196 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.15 -36.61 47.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.068 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -62.13 -49.07 77.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.067 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 tp -66.8 -31.07 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.694 ' HA ' HG21 ' A' ' 82' ' ' VAL . 31.2 t -97.25 23.78 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -51.7 68.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.547 HD11 HD22 ' A' ' 33' ' ' LEU . 2.0 mp -59.58 -178.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -110.63 30.86 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.813 ' HG3' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -102.05 -61.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.792 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.694 HG21 ' HA ' ' A' ' 77' ' ' SER . 18.7 m -46.34 133.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.547 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.522 ' HB ' HG22 ' A' ' 23' ' ' THR . 76.3 t -128.48 -37.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -93.92 130.9 39.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 73' ' ' PHE . 72.9 p -132.52 118.02 18.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.783 0.325 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.503 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.8 Cg_endo -88.01 68.25 3.33 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.56 2.173 . . . . 0.0 112.449 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.03 168.45 21.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD12 ' C ' ' A' ' 61' ' ' MET . 4.0 tp -69.91 120.98 16.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -114.86 138.99 50.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -93.37 148.99 21.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.76 110.86 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.482 HH11 HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -80.64 99.82 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.595 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.84 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.6 t -117.19 124.12 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.373 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.84 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.5 mm -115.4 131.07 68.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.092 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.467 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -111.84 145.41 39.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.759 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.723 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.4 p -120.72 69.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.076 0.465 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -144.16 150.26 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 26.74 4.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.033 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -139.43 37.61 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p -74.52 -6.65 49.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.566 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 23.1 m -52.68 -25.8 11.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.828 0.346 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.867 ' O ' HD12 ' A' ' 33' ' ' LEU . 8.9 t -83.68 -33.55 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.352 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.822 HD13 ' HG ' ' A' ' 79' ' ' LEU . 57.6 tp -80.43 -34.69 35.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -65.4 -29.92 70.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.85 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -84.14 -28.58 27.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.853 179.759 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -76.66 -28.84 56.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -86.35 -29.11 23.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.17 -8.88 59.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.565 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 33' ' ' LEU . 9.0 t -58.07 -38.91 77.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.427 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 8.2 m-85 57.79 45.2 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -62.1 -42.15 98.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.751 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 15.2 ptp180 -119.73 167.17 12.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.579 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 32.9 Cg_exo -60.34 75.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.674 2.249 . . . . 0.0 112.572 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CE2' ' HA ' ' A' ' 37' ' ' TYR . 13.3 p90 -140.06 147.14 39.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.638 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -131.34 164.02 26.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.405 ' HG ' ' HA ' ' A' ' 59' ' ' VAL . 2.4 mp -140.31 129.94 24.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 2.0 mt-10 -97.57 94.19 6.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.0 0.428 . . . . 0.0 110.387 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -59.47 111.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.925 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 120.994 0.426 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -105.21 109.08 20.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.426 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.728 ' HA ' HD12 ' A' ' 21' ' ' ILE . 48.5 t -91.38 122.77 34.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.173 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -138.24 128.84 26.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 2.4 m-20 -89.53 160.75 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 76' ' ' ILE . 3.7 t -141.05 116.19 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 111.67 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.518 ' HB3' HD11 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -109.59 125.22 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.372 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.522 ' C ' HD12 ' A' ' 15' ' ' LEU . 7.7 tpt -146.39 150.5 35.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.892 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -72.68 99.99 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.463 HG22 HD12 ' A' ' 72' ' ' ILE . 64.5 t -91.56 141.15 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.0 t -113.42 -29.9 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.049 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -171.41 -176.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.157 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -29.97 50.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.41 -51.53 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.807 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' HG13 ' A' ' 72' ' ' ILE . 12.1 mm-40 -65.86 -49.96 66.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.469 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.82 -30.29 0.95 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.372 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -83.39 -30.26 27.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' GLU . 4.8 tt0 -83.09 -36.77 24.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.636 ' O ' HG22 ' A' ' 76' ' ' ILE . 4.2 mt -72.51 -30.87 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -76.87 -43.55 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -70.05 -36.88 75.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -61.04 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 72' ' ' ILE . 5.2 tp -56.43 -32.06 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.66 22.35 13.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.775 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -32.0 63.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 0.0 110.752 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.822 ' HG ' HD13 ' A' ' 30' ' ' LEU . 4.0 mm? -63.27 -175.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.27 20.92 11.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -36.2 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.746 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.467 HG12 ' HG3' ' A' ' 22' ' ' MET . 19.1 m -56.45 132.85 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.723 HG21 ' OG1' ' A' ' 23' ' ' THR . 77.1 t -122.42 -40.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -115.02 133.9 55.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -141.11 139.17 33.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.5 tp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.002 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 94.0 Cg_endo -82.76 62.59 7.83 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.341 2.027 . . . . 0.0 112.162 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.45 173.95 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.146 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 122.32 24.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -119.81 141.46 49.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' HB2' ' ND2' ' A' ' 58' ' ' ASN . 10.8 p-10 -87.8 153.43 21.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -131.12 104.45 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.092 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -72.42 103.28 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.621 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.817 ' C ' HD13 ' A' ' 21' ' ' ILE . 16.1 t -121.91 125.81 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.455 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.817 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.5 mm -114.91 137.94 46.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.619 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -117.07 145.44 43.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.926 0.393 . . . . 0.0 110.761 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.651 ' OG1' HG21 ' A' ' 83' ' ' VAL . 9.6 p -124.57 69.59 1.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.624 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.656 HG21 ' CE ' ' A' ' 81' ' ' LYS . 2.6 m -130.34 154.87 47.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -98.98 28.62 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.834 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -162.09 47.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.728 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -74.31 -7.15 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.426 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.2 p -49.06 -29.43 5.08 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -76.86 -40.94 45.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' HG ' HD11 ' A' ' 34' ' ' LEU . 43.7 tp -75.26 -31.64 60.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.811 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -61.97 -39.08 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -75.98 -29.31 58.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.748 ' O ' HG22 ' A' ' 36' ' ' THR . 2.0 mm? -71.1 -29.23 65.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD11 ' HG ' ' A' ' 30' ' ' LEU . 7.9 mt -90.0 -32.12 16.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.87 -5.21 55.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.507 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 33' ' ' LEU . 11.2 t -73.83 -32.55 63.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.756 0.312 . . . . 0.0 111.01 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 60.73 46.77 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -58.46 -30.08 66.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 3.7 ptp85 -131.13 170.57 10.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.737 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.449 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 16.6 Cg_exo -68.2 62.28 1.04 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.647 2.231 . . . . 0.0 112.625 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.557 ' HE2' HD11 ' A' ' 43' ' ' LEU . 6.7 p90 -132.33 141.58 49.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.889 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.82 169.86 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.557 HD11 ' HE2' ' A' ' 41' ' ' PHE . 2.1 mp -140.13 129.28 23.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 6.8 mt-10 -97.65 93.42 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.49 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.6 m-30 -59.85 123.7 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -97.09 109.38 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.751 ' HA ' HD12 ' A' ' 21' ' ' ILE . 45.1 m -96.65 120.21 36.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.96 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -137.3 140.04 41.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.493 ' ND2' ' HB2' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -99.67 162.73 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.673 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -139.15 113.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.408 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.86 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.4 ttt -139.23 153.94 47.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.91 124.04 23.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.935 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 58.5 t -114.27 138.57 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.96 0.41 . . . . 0.0 111.222 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -107.39 -30.27 8.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.59 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.15 -176.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.791 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.5 -28.6 13.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.189 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -57.27 12.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.559 ' O ' HG13 ' A' ' 72' ' ' ILE . 6.0 mm-40 -65.27 -50.8 64.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -40.8 3.17 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.483 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -71.92 -31.42 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.6 tt0 -80.3 -35.82 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.016 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.8 mt -68.66 -28.75 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.724 0.297 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -80.86 -48.64 12.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.315 -179.683 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -35.64 80.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.123 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -67.52 -48.87 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 73' ' ' PHE . 4.5 tp -64.18 -31.85 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -99.17 24.05 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -65.49 -43.67 89.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.4 -179.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -111.15 31.98 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.656 ' CE ' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER -101.43 -54.96 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.79 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.619 HG12 ' HG3' ' A' ' 22' ' ' MET . 19.8 m -49.88 125.88 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.419 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.651 HG21 ' OG1' ' A' ' 23' ' ' THR . 65.3 t -120.4 -36.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.202 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -118.81 106.05 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.734 HG22 HG13 ' A' ' 20' ' ' VAL . 29.9 p -115.43 151.25 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.833 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.907 0.384 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 59.7 Cg_endo -91.11 68.2 1.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.898 2.399 . . . . 0.0 112.439 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.5 m -149.04 173.83 12.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -70.73 115.07 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -111.1 126.91 55.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -83.63 149.61 26.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.607 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.406 ' OH ' HG21 ' A' ' 63' ' ' VAL . 86.0 m-85 -130.77 100.86 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.052 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.572 ' CD ' HD11 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -73.76 101.54 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.436 179.696 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.627 ' C ' HD13 ' A' ' 21' ' ' ILE . 19.4 t -116.07 121.95 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.494 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -109.3 133.16 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.725 ' CG ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -114.43 143.63 44.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.883 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.647 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.8 p -121.73 69.37 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.6 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.741 HG21 ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -148.98 147.08 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.96 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -86.31 2.98 45.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.373 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.69 38.64 2.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 24' ' ' THR . 61.2 p -76.08 -6.28 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.392 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 p -55.84 -43.98 77.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.769 0.319 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.6 t -69.24 -33.98 74.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.889 HD13 HD21 ' A' ' 79' ' ' LEU . 35.9 tp -77.82 -31.08 51.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.62 -21.68 61.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.28 -28.76 18.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.367 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.65 ' O ' HG22 ' A' ' 36' ' ' THR . 3.0 pp -83.19 -20.91 33.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.492 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD22 HD21 ' A' ' 43' ' ' LEU . 28.7 mt -84.1 -32.88 24.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.918 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -84.32 -4.86 59.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.494 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 33' ' ' LEU . 8.8 t -53.16 -34.06 55.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.805 0.336 . . . . 0.0 111.229 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 58.03 46.78 15.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -69.28 -40.64 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.041 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.63 169.27 12.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.741 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.88 72.61 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.797 2.332 . . . . 0.0 112.437 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -140.13 141.54 36.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 165.44 18.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.799 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.4 HD21 HD22 ' A' ' 34' ' ' LEU . 4.3 mp -134.62 132.46 39.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -100.8 92.11 4.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -59.8 110.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.734 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.118 -179.709 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 CA--C 1.522 -0.099 0 CA-C-O 120.845 0.355 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -98.13 109.08 21.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.489 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.684 ' HA ' HD12 ' A' ' 21' ' ' ILE . 71.4 m -87.07 136.26 32.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.359 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -149.19 120.3 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.602 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -87.75 157.73 18.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.967 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.449 HG21 HD13 ' A' ' 76' ' ' ILE . 4.5 t -139.54 110.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.53 108.47 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.474 ' C ' HD23 ' A' ' 15' ' ' LEU . 12.9 ttt -132.05 152.32 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.39 117.47 16.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.445 HG22 HD12 ' A' ' 72' ' ' ILE . 61.9 t -108.86 144.94 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.482 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -114.8 -31.65 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.23 -176.86 2.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -54.99 -30.21 58.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -56.21 14.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.6 mt-10 -64.47 -48.8 73.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.538 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -44.46 -34.52 2.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.367 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -79.22 -30.88 43.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.3 tt0 -81.66 -36.63 28.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.2 mt -69.48 -29.74 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.248 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -54.73 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -59.36 -30.01 68.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.097 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -70.96 -53.14 15.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.449 HD13 HG21 ' A' ' 59' ' ' VAL . 2.9 tp -64.55 -36.58 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -99.23 27.36 5.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -63.5 -55.17 26.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.889 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -57.42 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -116.92 52.21 0.96 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.741 ' CE ' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER -123.0 -58.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.725 HG12 ' CG ' ' A' ' 22' ' ' MET . 34.9 m -44.18 143.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.685 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.647 HG21 ' OG1' ' A' ' 23' ' ' THR . 67.9 t -122.85 -49.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.185 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.402 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -91.31 128.82 37.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 p -136.28 120.32 17.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.955 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.803 0.335 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.9 Cg_endo -89.35 68.2 2.32 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.732 2.288 . . . . 0.0 112.583 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.25 163.25 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 120.05 15.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -116.08 140.43 49.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.97 151.08 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -130.87 103.16 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.993 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -70.95 103.92 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.76 HG13 HG22 ' A' ' 85' ' ' THR . 21.7 t -121.85 120.53 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.511 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.79 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.9 mm -115.62 138.27 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.745 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.653 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.9 153.21 36.2 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.003 0.43 . . . . 0.0 110.762 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.617 HG22 ' HB ' ' A' ' 83' ' ' VAL . 1.8 t -131.16 69.11 1.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.285 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.442 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -143.94 150.79 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.142 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -98.32 26.35 5.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -139.2 39.86 2.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 p -76.03 -5.18 45.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.464 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -52.14 -26.36 11.17 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.801 0.334 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.579 HG23 ' CD1' ' A' ' 79' ' ' LEU . 9.7 t -80.94 -30.89 35.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.436 HD23 ' HE2' ' A' ' 22' ' ' MET . 11.0 tp -82.79 -41.69 18.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.878 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -30.48 64.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -85.46 -31.22 22.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.787 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.632 ' O ' HG22 ' A' ' 36' ' ' THR . 1.3 mm? -76.59 -28.07 56.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -87.74 -36.45 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -75.54 -7.32 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.339 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 33' ' ' LEU . 12.5 t -58.97 -37.39 76.69 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.799 0.333 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 59.8 47.73 9.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -61.47 -59.33 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER -107.98 170.8 5.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.526 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 29.1 Cg_exo -62.36 74.8 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.612 2.208 . . . . 0.0 112.344 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -140.03 146.64 39.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.878 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.05 169.98 16.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.762 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HG ' HG13 ' A' ' 59' ' ' VAL . 3.3 mp -139.88 139.13 36.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -100.58 97.05 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.439 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -59.79 115.59 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.033 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -92.45 109.13 20.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.79 ' HA ' HD12 ' A' ' 21' ' ' ILE . 72.2 m -89.1 128.88 35.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.289 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -145.05 126.01 14.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.673 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 3.7 t-20 -91.16 161.49 15.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.905 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.49 HG13 ' HG ' ' A' ' 43' ' ' LEU . 2.2 t -139.36 120.32 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.281 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.04 113.24 25.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.627 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.413 ' HB3' HD13 ' A' ' 72' ' ' ILE . 5.0 ttt -134.17 150.83 51.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.082 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.19 107.07 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 61.5 t -95.73 139.51 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -110.65 -27.86 8.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.875 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -173.88 -178.18 1.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -54.98 -36.73 65.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -48.15 -52.12 22.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.56 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.6 mt-10 -64.79 -50.13 67.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.564 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -35.93 1.62 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.219 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.07 -31.7 56.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.738 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' GLU . 28.8 tt0 -80.02 -38.44 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.924 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.6 mt -68.61 -26.92 34.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.349 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -80.25 -41.24 25.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.415 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 17.1 pt20 -74.31 -38.44 63.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.079 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 5.6 ptpt -64.2 -41.8 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.162 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 5.5 tp -69.51 -38.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.067 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.481 ' CB ' HG21 ' A' ' 82' ' ' VAL . 84.8 p -99.08 28.71 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -37.68 84.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.579 ' CD1' HG23 ' A' ' 29' ' ' THR . 0.8 OUTLIER -73.47 -175.8 2.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.955 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.7 30.43 7.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.063 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.485 ' O ' HG23 ' A' ' 83' ' ' VAL . 6.4 mmpt? -98.87 -58.03 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.77 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.653 HG12 ' HG3' ' A' ' 22' ' ' MET . 35.8 m -48.02 129.26 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.541 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.617 ' HB ' HG22 ' A' ' 23' ' ' THR . 91.4 t -124.09 -36.93 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.068 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -109.86 106.88 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.76 HG22 HG13 ' A' ' 20' ' ' VAL . 77.9 p -120.65 153.69 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.857 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 N--CA 1.461 0.09 0 CA-C-O 120.857 0.36 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 60.1 Cg_endo -91.49 68.45 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.809 2.339 . . . . 0.0 112.524 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -143.41 163.2 33.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 118.73 17.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.4 t-105 -114.82 144.24 43.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -92.74 152.33 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -132.31 101.42 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.575 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -77.72 99.96 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.638 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.689 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.8 t -116.06 126.54 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.257 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.689 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.8 mm -110.4 138.16 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.465 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -116.65 145.51 43.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.714 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.611 ' OG1' HG21 ' A' ' 83' ' ' VAL . 6.0 p -122.17 69.8 0.96 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.77 HG21 ' CD ' ' A' ' 81' ' ' LYS . 2.7 m -132.58 156.97 45.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 27.7 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.548 ' O ' HG22 ' A' ' 29' ' ' THR . 0.7 OUTLIER -155.42 49.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -70.91 -9.8 58.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.501 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 16.0 m -51.14 -26.44 6.68 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.861 0.362 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 26' ' ' ASP . 3.4 t -75.99 -28.59 57.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.595 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -80.34 -45.0 18.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.664 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' SER . 49.2 pttt -57.08 -22.93 43.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 1.4 pt-20 -90.2 -30.73 17.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.717 ' O ' HG22 ' A' ' 36' ' ' THR . 1.7 pp -87.15 -23.11 24.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.074 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.617 HD22 HD21 ' A' ' 43' ' ' LEU . 59.8 mt -85.94 -28.24 24.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -90.06 -4.9 57.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.579 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 33' ' ' LEU . 9.8 t -59.49 -40.28 86.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.695 0.283 . . . . 0.0 111.053 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 58.13 44.43 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.074 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -56.63 -38.71 72.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -125.55 171.18 8.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.332 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.448 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 27.3 Cg_exo -63.08 71.37 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.0 112.526 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 39' ' ' ARG . 19.2 p90 -137.8 142.11 40.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' C ' HD12 ' A' ' 43' ' ' LEU . 20.8 mttp -122.11 169.52 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.617 HD21 HD22 ' A' ' 34' ' ' LEU . 4.8 mp -140.14 139.04 35.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.043 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -105.05 91.76 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.456 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.83 118.01 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.047 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.719 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -88.45 109.5 20.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.646 ' CB ' HD12 ' A' ' 21' ' ' ILE . 9.3 t -87.31 135.09 33.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 56' ' ' SER . 26.8 m-85 -147.6 130.81 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.08 162.65 13.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.42 HG21 HD13 ' A' ' 76' ' ' ILE . 4.1 t -141.11 112.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.425 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.87 110.81 23.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.408 ' HB3' HD13 ' A' ' 72' ' ' ILE . 9.2 tpt -133.83 154.37 51.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -74.89 105.69 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.588 HG22 HD12 ' A' ' 72' ' ' ILE . 57.8 t -94.69 139.07 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.9 m -112.52 -29.1 7.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -169.5 -176.81 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -56.8 -37.27 70.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.36 -50.95 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.521 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.8 mt-10 -67.2 -52.74 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -44.32 -31.14 0.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.338 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.45 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 1.5 m-80 -80.01 -32.39 39.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -82.18 -34.97 28.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.741 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.588 HD12 HG22 ' A' ' 63' ' ' VAL . 4.0 mt -70.21 -29.65 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.171 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.97 -45.62 16.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.074 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 70' ' ' ASN . 2.8 pt20 -69.6 -39.71 77.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -60.62 -49.41 77.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 59' ' ' VAL . 5.9 tp -65.41 -35.54 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.925 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.416 ' CB ' HG21 ' A' ' 82' ' ' VAL . 58.7 m -99.85 26.48 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -67.85 -36.83 81.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.46 -177.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -112.42 30.96 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.77 ' CD ' HG21 ' A' ' 24' ' ' THR . 25.9 mmtt -102.55 -48.35 4.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 31.3 m -53.08 139.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.384 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.611 HG21 ' OG1' ' A' ' 23' ' ' THR . 94.4 t -128.34 -43.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.997 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.84 126.51 53.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.402 ' C ' HD12 ' A' ' 86' ' ' LEU . 20.3 p -117.13 143.99 45.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 85' ' ' THR . 8.9 mp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.821 0.343 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 61.2 Cg_endo -90.48 65.76 1.68 Allowed 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.744 2.296 . . . . 0.0 112.474 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.0 m -143.8 -178.74 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.038 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 61' ' ' MET . 0.2 OUTLIER -86.35 113.51 22.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.007 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -103.55 156.39 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 4.3 p-10 -111.96 154.39 25.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -137.04 121.63 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.148 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 tpp85 -88.29 99.59 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.672 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.1 t -115.01 129.47 71.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.653 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.672 HD13 ' C ' ' A' ' 20' ' ' VAL . 3.0 mm -118.04 141.94 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.679 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.858 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.7 mtt -118.81 141.42 48.65 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 111.052 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.705 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.2 p -120.77 69.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.646 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.899 HG21 ' HD3' ' A' ' 81' ' ' LYS . 5.8 m -142.88 152.02 41.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.018 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -98.99 28.14 4.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -150.02 47.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.6 p -76.47 -5.04 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.425 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -50.32 -27.87 6.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.84 0.353 . . . . 0.0 111.144 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -77.55 -29.0 52.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.727 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.563 HD12 ' HG3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -81.55 -43.92 18.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.946 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -52.97 -32.21 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.923 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -86.81 -29.2 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 36' ' ' THR . 1.5 mm? -77.8 -33.6 52.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.2 mt -83.94 -33.45 24.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -77.4 -4.97 48.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.422 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 33' ' ' LEU . 11.0 t -57.44 -37.73 73.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.876 0.369 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 41' ' ' PHE . 6.7 m-85 58.98 46.96 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -57.8 -45.68 85.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.651 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -121.2 167.2 13.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.489 179.651 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 23.5 Cg_endo -61.8 75.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.48 2.12 . . . . 0.0 112.55 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 39' ' ' ARG . 23.6 p90 -140.08 158.09 44.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -140.07 167.56 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.366 . . . . 0.0 111.069 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -135.89 129.71 32.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.783 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.84 96.82 9.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.888 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -59.8 120.81 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.995 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.852 0.358 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -95.37 109.3 21.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.66 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 21' ' ' ILE . 14.6 t -78.42 135.82 37.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.138 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -142.09 124.56 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.716 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -91.68 165.69 13.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.453 HG21 HD13 ' A' ' 76' ' ' ILE . 42.6 t -141.37 138.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.063 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 m -135.93 113.05 10.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.63 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.857 ' HG3' HD13 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -145.06 167.23 23.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.165 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -85.67 133.06 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG11 ' HD2' ' A' ' 69' ' ' ARG . 60.5 t -122.81 140.77 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.646 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 31.5 t -113.46 -25.39 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.349 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.37 -175.35 0.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.876 0.369 . . . . 0.0 111.117 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -33.93 68.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -51.16 -57.2 9.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.4 mt-10 -61.82 -52.17 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.076 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.485 ' HD2' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -42.57 -52.91 4.62 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.468 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.84 -30.06 67.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -37.75 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.857 HD13 ' HG3' ' A' ' 61' ' ' MET . 4.0 mt -68.0 -30.55 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.02 -57.58 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.091 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.15 -29.64 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.8 -56.67 10.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.581 HG12 HG21 ' A' ' 20' ' ' VAL . 5.8 tp -62.55 -31.09 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m -97.43 22.52 8.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -60.54 -52.31 65.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 79' ' ' LEU . 3.5 mm? -64.8 172.2 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -108.88 32.63 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.899 ' HD3' HG21 ' A' ' 24' ' ' THR . 12.5 mmtm -105.69 -55.69 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.794 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.858 HG12 ' HG2' ' A' ' 22' ' ' MET . 34.8 m -44.45 135.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.595 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.705 HG21 ' OG1' ' A' ' 23' ' ' THR . 60.6 t -119.33 -45.39 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -97.21 120.34 37.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -123.31 132.34 53.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 86' ' ' LEU . 1.7 tt . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.007 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.5 Cg_endo -89.15 68.43 2.42 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.543 2.162 . . . . 0.0 112.58 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.03 165.11 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.824 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 109.85 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -106.02 138.12 42.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.07 151.42 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -128.85 103.79 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.039 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 100.12 4.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.499 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.788 HG13 HG22 ' A' ' 85' ' ' THR . 18.3 t -121.15 126.1 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.573 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.676 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.8 mm -111.05 141.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.634 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -118.92 141.6 48.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.587 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.496 ' CG2' HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -123.78 69.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.464 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.782 HG21 ' CD ' ' A' ' 81' ' ' LYS . 2.1 m -136.56 152.37 50.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.209 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -88.81 -14.15 37.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.222 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 24' ' ' THR . 1.1 t70 -110.97 49.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 p -77.51 -5.0 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.418 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -26.05 36.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.825 0.345 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.604 ' O ' HD13 ' A' ' 33' ' ' LEU . 10.2 t -80.44 -33.48 36.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.412 . . . . 0.0 110.505 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.661 ' HG ' HD11 ' A' ' 34' ' ' LEU . 46.8 tp -80.74 -40.84 24.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -30.42 69.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 36' ' ' THR . 11.9 pt-20 -83.7 -29.65 27.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 29' ' ' THR . 3.1 mp -72.17 -37.23 69.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.748 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.661 HD11 ' HG ' ' A' ' 30' ' ' LEU . 3.6 mt -76.02 -31.75 59.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.1 -8.11 55.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.361 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 32' ' ' GLU . 81.8 p -58.6 -44.92 90.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 56.18 35.44 25.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.22 -31.33 71.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -116.67 170.68 5.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.721 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 64.9 Cg_endo -74.03 59.02 4.33 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.519 2.146 . . . . 0.0 112.236 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -121.96 153.28 38.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -128.67 165.46 20.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.619 HD21 HD22 ' A' ' 34' ' ' LEU . 1.9 mp -140.0 130.97 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -100.58 90.4 4.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.98 109.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.896 0.379 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -86.64 109.26 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.647 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.66 ' HA ' HD12 ' A' ' 21' ' ' ILE . 72.8 m -89.6 123.27 33.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -137.11 130.3 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.5 163.1 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.509 HG21 HD13 ' A' ' 76' ' ' ILE . 3.9 t -140.16 111.71 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.236 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.0 m -105.39 108.66 20.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.5 tpt -131.13 154.81 47.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.61 100.52 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.616 HG22 HD12 ' A' ' 72' ' ' ILE . 43.9 t -90.01 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 7.5 t -113.86 -28.73 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.09 -169.0 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.036 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.75 -36.41 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -51.7 -51.66 54.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.3 mt-10 -68.05 -53.08 28.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -31.36 0.93 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.373 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.67 -31.23 36.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.745 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.7 tt0 -81.9 -36.83 27.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.616 HD12 HG22 ' A' ' 63' ' ' VAL . 4.4 mt -69.88 -30.58 44.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.52 ' O ' HG22 ' A' ' 76' ' ' ILE . 53.5 t80 -77.36 -43.63 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.039 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -69.31 -30.34 68.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -67.59 -42.71 82.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 73' ' ' PHE . 5.4 tp -71.39 -30.94 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.965 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.449 ' HA ' HG21 ' A' ' 82' ' ' VAL . 5.9 t -99.5 26.34 6.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.769 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -35.52 78.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -176.89 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.27 29.77 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.782 ' CD ' HG21 ' A' ' 24' ' ' THR . 18.9 mmtm -98.59 -61.39 1.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.634 HG12 ' HG3' ' A' ' 22' ' ' MET . 31.1 m -45.42 134.93 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.532 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.496 HG21 ' CG2' ' A' ' 23' ' ' THR . 75.0 t -127.69 -39.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.99 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.7 132.3 46.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.788 HG22 HG13 ' A' ' 20' ' ' VAL . 9.9 p -140.59 137.93 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.964 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.738 0.304 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 61.0 Cg_endo -90.57 68.43 1.54 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.724 2.283 . . . . 0.0 112.536 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.38 174.34 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.794 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 61' ' ' MET . 0.2 OUTLIER -79.19 120.92 24.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.402 ' O ' ' HE1' ' A' ' 61' ' ' MET . 14.5 t-105 -112.58 161.21 17.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.7 141.79 47.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.43 ' CE2' ' CE ' ' A' ' 61' ' ' MET . 46.6 m-85 -127.01 116.44 20.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.148 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.573 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -80.1 100.21 8.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.531 179.602 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.814 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.7 t -110.85 125.24 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.418 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.814 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.3 mm -113.92 135.53 53.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.46 143.77 47.34 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.975 0.417 . . . . 0.0 110.581 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.507 ' CG2' HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -124.44 69.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.448 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.782 HG21 ' HD3' ' A' ' 81' ' ' LYS . 1.8 m -132.68 152.39 51.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.65 26.58 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -150.14 48.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.645 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -75.5 -5.66 46.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.52 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.1 m -53.36 -27.21 22.51 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.88 0.371 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -81.18 -32.55 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.393 . . . . 0.0 110.382 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 79' ' ' LEU . 12.5 tp -81.0 -42.51 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -54.45 -34.8 62.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.01 -31.05 31.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.824 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.713 ' O ' HG22 ' A' ' 36' ' ' THR . 4.1 mp -79.06 -25.59 43.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.596 ' HB3' HD22 ' A' ' 43' ' ' LEU . 97.0 mt -88.26 -30.49 19.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.02 -11.06 48.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.358 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 33' ' ' LEU . 10.2 t -56.45 -34.87 67.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 58.34 48.02 13.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -56.75 -47.52 79.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.766 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -112.93 167.19 9.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 35.4 Cg_endo -65.27 73.19 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.505 2.136 . . . . 0.0 112.432 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.407 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 27.9 p90 -140.02 160.91 38.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.707 ' O ' HD12 ' A' ' 43' ' ' LEU . 1.5 mtmp? -136.09 157.96 45.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 42' ' ' LYS . 8.8 mp -130.19 120.71 24.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -96.43 89.85 5.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.663 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.23 136.58 58.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.424 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.957 -179.899 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.942 0.401 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -93.92 109.37 21.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.647 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.724 ' CB ' HD12 ' A' ' 21' ' ' ILE . 36.8 m -99.64 130.53 45.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.374 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.625 ' CZ ' HD11 ' A' ' 76' ' ' ILE . 26.5 p90 -144.8 169.88 17.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.05 164.1 17.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.055 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.654 HG13 HD11 ' A' ' 43' ' ' LEU . 21.2 t -136.35 109.86 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -106.66 110.52 22.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.724 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.793 ' CG ' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -140.55 171.93 13.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.85 133.38 37.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 63.1 t -130.83 139.78 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 62.2 m -112.75 -29.28 7.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.58 -176.07 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.067 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -29.61 37.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -55.35 20.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.578 ' O ' HG13 ' A' ' 72' ' ' ILE . 4.2 mt-10 -63.76 -50.35 69.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.36 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -44.71 -32.1 1.4 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.37 -31.65 48.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.4 tt0 -82.48 -34.97 27.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.793 HD13 ' CG ' ' A' ' 61' ' ' MET . 5.1 mt -71.49 -25.96 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.269 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -42.29 23.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.323 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 1.0 OUTLIER -72.03 -24.92 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.19 -179.832 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -49.66 21.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.057 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.625 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 3.4 tp -68.3 -29.69 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.944 0.402 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 t -99.57 24.56 8.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.769 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -59.49 -36.84 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -89.71 -176.8 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -110.23 37.16 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.004 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.782 ' HD3' HG21 ' A' ' 24' ' ' THR . 2.1 mmtp -98.33 -61.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.791 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 30.8 m -46.37 135.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.608 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.507 HG21 ' CG2' ' A' ' 23' ' ' THR . 65.0 t -129.41 -39.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.145 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.79 105.26 11.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -119.11 154.29 33.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.649 ' OXT' HD23 ' A' ' 86' ' ' LEU . 8.2 tt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.965 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.882 0.372 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.2 Cg_endo -88.65 68.4 2.8 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.666 2.244 . . . . 0.0 112.472 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.05 164.76 29.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.596 HD23 ' C ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -73.18 117.27 14.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -115.0 133.51 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.04 153.43 21.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -131.57 105.52 7.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.155 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.07 101.6 4.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.734 ' C ' HD13 ' A' ' 21' ' ' ILE . 19.9 t -120.1 126.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.434 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.7 mm -112.43 144.87 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.753 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.859 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.5 mtt -121.11 141.52 50.72 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.838 0.351 . . . . 0.0 110.509 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' HB ' ' A' ' 83' ' ' VAL . 1.4 t -124.43 69.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.428 HG21 ' CE ' ' A' ' 81' ' ' LYS . 1.7 m -139.22 155.31 47.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.042 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.32 28.61 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.84 31.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.3 p -71.15 -10.33 59.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.348 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.4 p -49.25 -32.27 10.38 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.749 0.309 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.501 ' O ' HD23 ' A' ' 33' ' ' LEU . 9.9 t -64.11 -30.09 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.59 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.06 -39.16 56.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.679 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -54.05 -25.84 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.043 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 36' ' ' THR . 2.9 mm-40 -85.1 -41.38 15.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.061 0.457 . . . . 0.0 110.419 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 29' ' ' THR . 4.1 mm? -71.31 -30.82 66.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.59 HD11 HD22 ' A' ' 30' ' ' LEU . 10.1 mt -82.73 -34.16 27.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -75.26 -8.14 55.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.537 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 32' ' ' GLU . 46.1 p -51.07 -48.35 61.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m-85 61.75 31.67 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -56.82 -37.36 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.68 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.57 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 6.4 ptt85 -117.76 163.18 25.37 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.077 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.57 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 28.7 Cg_endo -63.04 70.48 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.374 2.049 . . . . 0.0 112.483 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' ARG . 12.3 p90 -133.15 142.82 48.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.428 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -127.72 165.33 20.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.001 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 42' ' ' LYS . 5.4 mp -137.73 132.11 32.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -101.06 93.09 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.621 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' A' ' 57' ' ' PHE . 3.4 m-85 -59.68 119.7 8.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.015 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 10.7 mmmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.815 0.341 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -82.02 109.15 16.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.691 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 46.4 m -91.1 123.42 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CD2' ' CD1' ' A' ' 45' ' ' PHE . 19.4 m-85 -136.54 139.0 41.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 21.8 m-80 -102.58 160.47 14.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.801 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 76' ' ' ILE . 2.8 t -139.4 112.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.252 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.81 110.31 22.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.596 ' C ' HD23 ' A' ' 15' ' ' LEU . 10.9 tpt -131.81 152.33 51.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -76.06 106.74 7.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.674 HG22 HD12 ' A' ' 72' ' ' ILE . 93.6 t -94.54 141.29 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.1 m -110.22 -30.42 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -171.99 -177.21 1.85 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.55 -33.91 60.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.34 -55.63 17.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.538 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.1 mt-10 -60.39 -50.4 73.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.453 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -45.27 -30.45 1.24 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -79.16 -31.32 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.744 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.6 tt0 -84.85 -33.06 22.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.772 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.674 HD12 HG22 ' A' ' 63' ' ' VAL . 5.2 mt -74.99 -28.8 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -79.71 -37.37 35.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -78.67 -28.09 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.029 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -69.32 -46.26 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.585 HD13 HG21 ' A' ' 59' ' ' VAL . 6.0 tp -68.8 -37.26 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.4 28.52 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.09 -35.8 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mp -82.18 -177.34 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.25 -21.31 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.428 ' CE ' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -49.72 -63.92 0.96 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.859 HG12 ' HG2' ' A' ' 22' ' ' MET . 34.9 m -45.73 147.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.449 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' A' ' 23' ' ' THR . 53.7 t -132.19 -48.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.008 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.41 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 28.5 tp60 -94.04 122.84 36.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.961 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -144.9 99.87 3.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.7 tp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.852 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 p90 . . . . . 0 CA--C 1.524 -0.046 0 CA-C-O 120.897 0.38 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 57.9 Cg_endo -89.09 68.93 2.42 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.598 2.199 . . . . 0.0 112.265 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.3 p -138.35 167.92 20.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.72 109.69 14.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -107.89 142.46 37.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.19 155.22 17.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.683 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -136.53 107.43 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.677 ' HB2' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -78.77 101.05 7.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.957 HG13 HG22 ' A' ' 85' ' ' THR . 24.7 t -114.05 118.55 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.4 mm -102.61 131.98 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.073 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.468 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -110.68 144.78 39.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.853 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.753 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.3 p -119.42 70.01 0.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.975 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.492 HG21 ' HE2' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -144.54 156.57 44.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 -15.68 20.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.247 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -111.12 46.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.961 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.5 p -77.81 -4.98 49.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.346 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.405 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 9.3 m -50.81 -33.69 24.55 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -74.35 -30.83 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.736 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 47.1 tp -82.21 -35.97 27.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 11.9 pttm -71.08 -20.28 62.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -90.11 -31.0 17.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.08 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.688 ' O ' HG22 ' A' ' 36' ' ' THR . 2.0 pp -80.71 -21.27 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD11 ' HG ' ' A' ' 30' ' ' LEU . 28.2 mt -84.08 -30.06 26.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -83.55 -9.6 58.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.388 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 33' ' ' LEU . 12.3 t -54.04 -28.83 41.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.825 0.345 . . . . 0.0 111.024 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 61.89 43.36 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' H ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -59.22 -29.59 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.724 179.764 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -137.64 167.47 20.34 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.517 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 32.9 Cg_endo -64.65 70.94 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.527 2.151 . . . . 0.0 112.578 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 26.4 p90 -140.1 151.61 45.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.87 166.59 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.761 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -140.14 124.04 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.824 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.8 mm-40 -96.92 93.7 6.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.363 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.56 117.57 5.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.915 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -109.25 109.27 20.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.701 ' HA ' HD12 ' A' ' 21' ' ' ILE . 70.5 m -81.83 132.17 35.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.171 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -140.28 142.19 35.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.749 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 4.4 m120 -108.55 158.12 17.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.7 t -136.89 109.98 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.339 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.09 106.81 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.43 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ttt -135.18 150.02 50.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.009 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -79.89 99.86 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.592 HG22 HD12 ' A' ' 72' ' ' ILE . 52.0 t -81.18 145.05 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.815 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 22.7 t -114.67 -30.82 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.05 -171.08 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.982 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.12 -30.68 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 m -58.21 -52.48 65.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.533 ' O ' HG13 ' A' ' 72' ' ' ILE . 7.4 mm-40 -64.57 -52.83 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -42.9 -40.24 2.86 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.445 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.49 -34.17 73.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.1 tt0 -78.65 -38.61 39.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.592 HD12 HG22 ' A' ' 63' ' ' VAL . 3.5 mt -65.91 -27.23 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.0 -47.38 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.255 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -27.27 65.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.204 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -76.88 -43.09 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.024 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.412 HG12 HG21 ' A' ' 20' ' ' VAL . 6.2 tp -68.52 -34.93 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.378 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.458 ' HA ' HG21 ' A' ' 82' ' ' VAL . 30.9 t -99.56 27.15 5.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.834 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -67.21 -31.76 72.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.57 -175.67 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.95 29.32 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.492 ' HE2' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -98.76 -58.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.6 m -50.52 136.95 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.468 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.753 HG21 ' OG1' ' A' ' 23' ' ' THR . 94.0 t -123.81 -43.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -120.27 126.84 51.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.957 HG22 HG13 ' A' ' 20' ' ' VAL . 58.0 p -119.36 159.36 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.677 HD13 ' HB2' ' A' ' 19' ' ' ARG . 10.8 tp . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.916 0.388 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 66.7 Cg_endo -87.01 68.31 4.13 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.656 2.237 . . . . 0.0 112.401 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -141.1 161.97 36.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.663 HD23 ' C ' ' A' ' 61' ' ' MET . 0.6 OUTLIER -71.6 116.88 12.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -114.07 138.59 50.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.13 155.9 19.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -138.88 101.52 4.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.434 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -69.88 106.32 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.573 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.837 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.6 t -122.45 126.09 73.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.5 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.837 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.2 mm -114.51 142.27 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.813 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.823 ' HG2' HG12 ' A' ' 82' ' ' VAL . 3.8 mtt -118.18 142.9 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.514 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.465 ' OG1' HG21 ' A' ' 83' ' ' VAL . 8.2 p -122.29 69.63 0.96 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.751 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.432 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -145.13 154.1 42.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.33 27.25 4.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.949 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.72 38.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.462 HG22 ' HB3' ' A' ' 81' ' ' LYS . 71.1 p -76.28 -5.11 45.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.419 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -49.99 -31.25 12.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 30' ' ' LEU . 8.8 t -67.94 -44.88 75.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.758 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.673 HD23 ' SD ' ' A' ' 22' ' ' MET . 11.1 tp -77.07 -32.59 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' CE ' ' CZ ' ' A' ' 57' ' ' PHE . 15.4 mtpt -70.02 -21.45 63.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.15 -28.26 19.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.348 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 33' ' ' LEU . 2.6 pp -85.66 -26.3 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.266 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.677 HD13 HD22 ' A' ' 43' ' ' LEU . 4.4 pp -90.07 -20.55 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.197 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -27.66 21.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.251 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 33' ' ' LEU . 2.0 t -54.34 -23.75 16.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.446 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 66.06 42.77 3.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -54.43 -43.76 71.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' HG3' ' CE1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -111.11 170.19 5.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.59 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 59.0 Cg_endo -72.42 61.67 3.49 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.436 2.091 . . . . 0.0 112.406 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.631 ' HE2' HD11 ' A' ' 43' ' ' LEU . 7.9 p90 -133.48 147.21 51.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -116.1 169.45 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.677 HD22 HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -140.24 132.05 27.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 7.9 mt-10 -99.21 93.77 6.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.971 0.415 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -59.73 130.4 46.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.962 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.665 0.269 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -80.22 109.16 14.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.553 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.678 ' HA ' HD12 ' A' ' 21' ' ' ILE . 22.9 t -92.13 128.33 37.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.273 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CZ ' ' CE ' ' A' ' 31' ' ' LYS . 35.5 m-85 -145.78 133.94 21.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.576 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.3 t-20 -96.6 162.72 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.418 HG21 HD13 ' A' ' 76' ' ' ILE . 3.0 t -138.07 109.97 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.22 101.82 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.501 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.663 ' C ' HD23 ' A' ' 15' ' ' LEU . 7.2 ttt -123.78 144.92 49.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.005 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.44 100.01 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 93.1 t -85.55 141.64 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.976 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 3.0 p -110.68 -31.27 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -171.45 -176.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -29.59 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -51.01 65.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.521 ' O ' HG13 ' A' ' 72' ' ' ILE . 5.6 mm-40 -68.85 -49.03 61.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.593 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -42.49 -40.41 2.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.442 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -31.98 59.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.4 mt-10 -76.61 -45.09 31.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 68' ' ' GLU . 2.4 mt -63.07 -28.18 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.216 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.18 -46.7 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.348 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 1.2 pp0? -66.1 -30.37 70.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.249 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -75.5 -57.46 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 72' ' ' ILE . 2.4 tp -56.73 -36.34 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.056 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.865 ' HA ' HG21 ' A' ' 82' ' ' VAL . 67.1 m -103.77 24.95 10.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.48 -31.57 60.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -77.57 -176.93 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.24 -19.96 16.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -53.05 -68.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 111.124 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.865 HG21 ' HA ' ' A' ' 77' ' ' SER . 26.1 m -47.46 136.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.478 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.465 HG21 ' OG1' ' A' ' 23' ' ' THR . 69.6 t -128.46 -40.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -100.28 113.92 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.8 p -120.33 114.76 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.884 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 CA--C 1.524 -0.044 0 CA-C-O 120.849 0.357 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 66.3 Cg_endo -87.67 68.58 3.57 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.471 2.114 . . . . 0.0 112.443 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.55 162.98 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.604 HD13 ' HA ' ' A' ' 62' ' ' GLU . 4.3 mm? -71.05 121.14 17.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -118.51 141.25 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.1 147.39 23.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.563 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.458 ' CD1' ' CZ ' ' A' ' 73' ' ' PHE . 61.2 m-85 -128.65 109.16 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.029 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.537 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -75.86 101.4 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.565 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.76 HG13 HG22 ' A' ' 85' ' ' THR . 20.2 t -118.24 117.69 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.488 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.3 mm -108.75 136.22 45.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.567 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -112.43 146.04 39.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.946 0.403 . . . . 0.0 110.752 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.65 ' OG1' HG21 ' A' ' 83' ' ' VAL . 10.4 p -122.78 69.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.668 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.701 HG21 ' HD2' ' A' ' 81' ' ' LYS . 3.0 m -134.51 157.27 46.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.056 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -100.67 29.89 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -162.79 49.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -77.15 -4.97 47.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.399 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -50.69 -30.3 13.39 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.488 ' O ' HD23 ' A' ' 33' ' ' LEU . 9.6 t -74.43 -30.21 61.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.653 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.47 -36.38 57.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -59.29 -31.63 69.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -83.74 -28.61 28.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 36' ' ' THR . 1.7 mm? -74.73 -28.81 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.653 HD11 HD22 ' A' ' 30' ' ' LEU . 2.9 mt -89.94 -29.83 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -75.86 -13.16 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.488 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 33' ' ' LEU . 8.4 t -56.75 -41.24 77.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.858 0.361 . . . . 0.0 111.096 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 58.86 42.54 19.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.62 -48.43 81.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.07 171.37 4.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.65 74.8 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.765 2.31 . . . . 0.0 112.475 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -140.02 152.45 46.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.997 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -135.38 162.47 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.677 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB3' ' A' ' 34' ' ' LEU . 1.4 mp -140.16 129.19 23.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.5 mm-40 -99.62 92.81 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.558 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -59.65 115.06 3.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.908 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.914 0.387 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -88.2 109.25 19.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.645 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.782 ' HA ' HD12 ' A' ' 21' ' ' ILE . 74.1 m -86.05 129.32 34.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.173 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -142.93 131.47 22.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 3.9 m-20 -96.03 161.32 14.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.755 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.9 t -139.82 113.71 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.549 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.17 101.0 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.264 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.2 ttt -121.79 150.66 41.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.604 ' HA ' HD13 ' A' ' 15' ' ' LEU . 3.7 mt-10 -69.9 99.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.716 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.499 HG22 HD12 ' A' ' 72' ' ' ILE . 45.6 t -87.36 136.89 22.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 45.5 t -107.7 -31.31 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.97 -172.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -57.3 -32.16 66.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.024 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.2 m -56.33 -52.96 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.78 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.596 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -64.09 -51.76 62.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.312 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -42.36 -37.29 1.51 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.542 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -29.92 57.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -82.41 -33.93 28.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 68' ' ' GLU . 5.5 mt -71.32 -27.22 28.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.271 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.458 ' CZ ' ' CD1' ' A' ' 18' ' ' TYR . 2.7 m-85 -80.22 -46.24 16.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.477 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 15.4 pt20 -70.42 -29.47 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.236 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -75.21 -39.57 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 73' ' ' PHE . 4.7 tp -71.72 -32.88 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.7 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.423 ' CB ' HG21 ' A' ' 82' ' ' VAL . 17.3 m -100.36 23.91 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.929 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -65.74 -30.96 71.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.14 -176.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.24 30.81 7.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.701 ' HD2' HG21 ' A' ' 24' ' ' THR . 34.0 mmtm -109.27 -52.56 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.567 HG12 ' HG3' ' A' ' 22' ' ' MET . 28.0 m -49.4 125.52 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.412 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.65 HG21 ' OG1' ' A' ' 23' ' ' THR . 81.3 t -120.64 -35.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.92 110.44 19.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.018 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.76 HG22 HG13 ' A' ' 20' ' ' VAL . 23.5 p -122.32 156.42 33.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.414 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.54 0.21 . . . . 0.0 111.5 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 1' ' ' MET . 84.8 Cg_endo -83.2 52.34 3.91 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.617 2.211 . . . . 0.0 112.398 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.35 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -133.8 163.66 28.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.17 -51.84 2.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -127.0 133.9 50.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.09 159.06 43.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' O ' ' CG2' ' A' ' 9' ' ' THR . 42.6 Cg_endo -67.84 -28.25 36.54 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.543 2.162 . . . . 0.0 112.135 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.427 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 8.7 t 45.6 55.9 6.3 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.455 HG23 ' CE2' ' A' ' 12' ' ' TYR . 30.2 mm -115.07 97.58 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.923 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -149.46 99.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.306 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.455 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -142.32 89.48 8.51 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.695 179.343 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 62.3 Cg_endo -89.93 68.94 1.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.715 2.277 . . . . 0.0 112.449 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.86 178.89 7.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.093 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 61' ' ' MET . 6.2 tp -74.6 124.52 26.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.499 ' CD1' ' CZ ' ' A' ' 18' ' ' TYR . 3.2 t-105 -108.38 141.2 40.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -112.47 128.34 56.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.546 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CZ ' ' CD1' ' A' ' 16' ' ' TRP . 54.9 m-85 -122.32 123.54 41.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.178 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.575 ' HG3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -82.67 99.77 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.299 179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.872 ' C ' HD13 ' A' ' 21' ' ' ILE . 26.0 t -111.02 122.99 66.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.407 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.872 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.3 mm -115.28 143.97 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.551 ' CG ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.76 150.02 41.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.691 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.708 ' OG1' HG21 ' A' ' 83' ' ' VAL . 11.9 p -125.94 69.68 1.2 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.727 HG21 ' HD3' ' A' ' 81' ' ' LYS . 1.2 m -149.45 154.34 38.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.04 29.01 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -145.76 33.94 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -77.02 -4.97 46.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.411 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -51.99 -29.83 22.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.79 0.329 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -71.9 -30.15 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.745 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.43 -46.08 16.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.698 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -58.16 -22.11 49.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -90.3 -30.04 17.73 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.645 ' O ' HG22 ' A' ' 36' ' ' THR . 1.4 pp -87.37 -30.65 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.3 mt -77.3 -25.37 51.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.799 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -5.31 59.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.588 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 33' ' ' LEU . 12.8 t -56.22 -36.93 69.0 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.851 0.358 . . . . 0.0 110.964 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 60.06 45.15 12.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' H ' HG23 ' A' ' 36' ' ' THR . 7.5 mm-40 -59.38 -57.6 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -106.09 170.67 5.56 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 38.6 Cg_exo -61.29 74.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.562 2.174 . . . . 0.0 112.593 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' ARG . 16.4 p90 -140.11 154.03 46.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -140.12 166.9 23.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mp -138.91 132.32 30.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.38 97.97 9.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.613 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -59.56 128.18 35.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HG3' ' HB3' ' A' ' 56' ' ' SER . 13.0 mmtp -85.35 -35.93 21.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -155.97 147.14 22.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.7 m -89.3 -41.81 11.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m -166.52 31.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -100.04 -41.74 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.86 86.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.04 59.86 5.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -170.32 -54.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -135.31 124.71 24.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -80.45 109.11 14.64 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.313 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.64 ' HA ' HD12 ' A' ' 21' ' ' ILE . 68.8 m -95.65 133.83 39.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.377 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -148.41 136.9 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -97.09 161.94 13.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.725 0.298 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.438 HG12 ' SD ' ' A' ' 61' ' ' MET . 14.9 t -137.59 110.32 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.565 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.13 115.19 27.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.281 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.802 ' HG3' HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -146.05 162.2 38.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.953 0.406 . . . . 0.0 111.343 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.96 125.4 26.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.297 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 94.7 t -123.61 141.45 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.448 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.1 t -111.47 -29.81 7.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.44 -175.02 0.52 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.08 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -32.79 39.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -54.48 19.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.981 0.42 . . . . 0.0 110.561 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.572 ' O ' HG13 ' A' ' 72' ' ' ILE . 3.6 mt-10 -67.98 -52.61 33.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.147 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -30.36 1.24 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.71 -30.44 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.734 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' GLU . 4.0 tp10 -84.5 -34.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.802 HD13 ' HG3' ' A' ' 61' ' ' MET . 5.7 mt -71.72 -28.87 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -76.63 -36.2 57.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -80.06 -27.04 39.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -75.56 -40.1 57.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.015 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.8 tp -72.8 -31.54 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.03 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.0 t -100.49 26.24 6.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -52.94 62.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.28 -175.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -119.08 31.39 6.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.727 ' HD3' HG21 ' A' ' 24' ' ' THR . 18.8 mmtp -101.15 -56.49 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.762 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.551 HG12 ' CG ' ' A' ' 22' ' ' MET . 35.4 m -47.38 137.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.488 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.708 HG21 ' OG1' ' A' ' 23' ' ' THR . 69.5 t -123.25 -44.66 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.84 131.61 52.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.543 HG22 HG13 ' A' ' 20' ' ' VAL . 63.8 p -134.69 152.84 52.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.765 0.317 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.84 -35.44 15.73 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.503 2.136 . . . . 0.0 112.353 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.47 109.62 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -94.99 -174.83 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -168.57 -43.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -99.03 171.04 8.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.016 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -125.22 156.48 69.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.711 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' O ' ' CG2' ' A' ' 9' ' ' THR . 9.7 Cg_endo -53.09 -58.47 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.653 2.235 . . . . 0.0 112.249 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 9.7 t 46.17 54.59 8.12 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.131 0.491 . . . . 0.0 110.999 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.845 HG23 ' CE2' ' A' ' 12' ' ' TYR . 29.0 mm -114.61 98.28 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 10' ' ' ILE . 11.7 mm -143.84 99.36 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.987 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.845 ' CE2' HG23 ' A' ' 10' ' ' ILE . 2.7 p90 -148.13 89.4 5.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.935 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 60.9 Cg_endo -89.91 67.42 2.02 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.72 2.28 . . . . 0.0 112.223 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.2 p -139.63 170.05 16.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.59 112.01 17.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -106.95 141.32 38.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.02 145.45 24.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.714 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.402 ' CE2' HG21 ' A' ' 72' ' ' ILE . 85.2 m-85 -125.31 106.16 9.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.462 ' HD3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -75.77 100.01 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.465 179.774 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.784 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.4 t -117.81 127.69 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.44 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.784 HD13 ' C ' ' A' ' 20' ' ' VAL . 2.2 mm -117.66 137.41 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.887 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.8 mtt -114.65 144.5 43.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 111.012 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.535 ' OG1' HG21 ' A' ' 83' ' ' VAL . 8.1 p -122.65 69.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.389 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.698 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -149.96 149.18 30.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.031 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 0.16 55.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.352 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.09 37.79 3.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.884 0.373 . . . . 0.0 110.811 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 p -77.21 -4.94 47.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.403 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.34 -30.15 4.64 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 30' ' ' LEU . 9.3 t -72.71 -45.77 57.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.562 HD23 ' SD ' ' A' ' 22' ' ' MET . 13.5 tp -75.18 -29.88 60.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.83 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -33.4 67.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -87.25 -28.62 22.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.855 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 36' ' ' THR . 0.2 OUTLIER -71.08 -28.33 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.732 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.4 mt -89.87 -32.02 17.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.27 -8.06 59.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.479 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 33' ' ' LEU . 9.8 t -60.06 -40.79 90.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.439 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 13.7 m-85 58.64 44.93 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.11 -44.33 95.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 6.6 ptp85 -111.2 168.44 7.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.529 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 23.5 Cg_exo -65.11 65.0 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.681 2.254 . . . . 0.0 112.623 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 37' ' ' TYR . 17.6 p90 -128.78 141.92 51.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.772 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -120.42 167.19 12.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.07 137.56 34.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.046 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -104.63 92.07 4.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.475 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -59.67 114.4 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.961 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -72.24 -35.97 68.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -124.38 -174.23 2.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.57 -46.45 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.5 t -142.52 32.85 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.975 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -55.36 15.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.3 t30 60.56 83.45 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.92 22.16 1.76 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.366 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.52 -6.23 1.95 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.752 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -135.31 116.14 14.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.437 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 3.5 m-85 -112.43 109.45 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.736 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.707 ' CB ' HD12 ' A' ' 21' ' ' ILE . 71.0 m -82.61 142.28 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 55' ' ' TYR . 94.6 m-85 -149.88 135.17 18.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.29 159.24 15.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.602 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.819 HG21 HD13 ' A' ' 76' ' ' ILE . 9.2 t -135.94 112.47 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.349 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.95 105.93 16.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.653 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.1 tpt -129.02 150.94 50.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.896 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -77.43 99.73 5.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.785 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.514 HG22 HD12 ' A' ' 72' ' ' ILE . 47.3 t -84.3 141.83 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 1.3 m -113.65 -31.39 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.32 -175.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.747 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -53.37 -28.18 27.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.019 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -61.8 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.759 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.533 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.0 mt-10 -62.77 -50.7 70.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.414 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 ttt-85 -42.62 -42.27 3.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.426 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.07 -34.99 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -76.64 -40.92 47.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.842 179.662 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 68' ' ' GLU . 2.9 mt -62.8 -28.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -78.35 -52.63 8.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -67.25 -26.87 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -69.02 -45.85 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.819 HD13 HG21 ' A' ' 59' ' ' VAL . 2.8 tp -72.33 -34.39 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.5 m -97.84 28.52 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -54.42 47.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.3 -175.68 3.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.02 28.03 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.698 ' HD3' HG21 ' A' ' 24' ' ' THR . 9.7 mmtm -90.45 -63.98 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.887 HG12 ' HG2' ' A' ' 22' ' ' MET . 35.1 m -43.74 144.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.626 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.535 HG21 ' OG1' ' A' ' 23' ' ' THR . 60.6 t -118.55 -50.55 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -104.8 109.97 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.5 t -128.03 122.27 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.876 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.697 0.284 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.16 60.38 5.55 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.566 2.177 . . . . 0.0 112.321 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -172.83 75.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -143.47 85.53 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -122.74 -61.37 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tptt 59.78 173.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -132.22 131.65 22.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' O ' ' CG2' ' A' ' 9' ' ' THR . 22.1 Cg_endo -60.91 -42.29 38.59 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.455 2.104 . . . . 0.0 112.285 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 4.9 t 44.38 66.61 0.82 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.477 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.944 HG21 ' HB3' ' A' ' 66' ' ' GLU . 19.0 mm -147.36 99.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.862 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.1 mt -148.41 99.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.719 ' CE2' HG23 ' A' ' 10' ' ' ILE . 3.7 p90 -147.44 89.41 5.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.934 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 59.3 Cg_endo -91.24 68.18 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.759 2.306 . . . . 0.0 112.559 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.23 178.99 9.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.716 HD22 ' HA ' ' A' ' 62' ' ' GLU . 1.2 mm? -69.84 111.54 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -103.79 136.12 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.26 141.35 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.759 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -126.6 108.94 11.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -77.77 99.94 6.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.712 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.4 t -115.81 118.51 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.355 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -113.44 136.36 50.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.973 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.481 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -113.53 145.54 41.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.667 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.714 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.2 p -123.1 69.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.122 0.487 . . . . 0.0 110.708 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.49 167.83 21.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.44 -12.53 17.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.249 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -109.87 41.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 p -78.07 -4.84 49.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.293 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -50.08 -36.97 31.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.921 0.391 . . . . 0.0 111.036 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -70.7 -28.11 64.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.683 HD12 ' HG3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -78.09 -36.46 48.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -62.83 -31.49 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.76 -28.93 30.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.94 -36.9 67.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.656 HD22 HD21 ' A' ' 43' ' ' LEU . 3.1 mt -77.54 -30.49 52.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.31 -4.91 53.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.381 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -53.18 -47.28 68.96 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.822 0.344 . . . . 0.0 111.223 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 62.36 33.76 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -62.26 -45.97 90.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -109.14 167.69 8.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.511 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 42.7 Cg_endo -67.77 63.89 0.89 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.562 2.175 . . . . 0.0 112.387 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -129.59 147.47 51.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.97 167.72 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.778 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.656 HD21 HD22 ' A' ' 34' ' ' LEU . 2.8 mp -140.13 133.12 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 4.9 mt-10 -97.53 95.07 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -59.79 118.43 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.001 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -80.31 -32.97 37.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.733 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -130.14 172.11 12.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.795 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.6 p -130.37 -44.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.1 32.42 0.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -62.3 -43.17 99.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.31 45.96 13.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 0.0 110.768 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -95.61 19.2 11.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.452 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER 85.77 -36.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.592 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 5.1 m-85 -107.85 119.47 39.54 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.906 0.384 . . . . 0.0 111.004 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -97.23 109.26 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.421 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.756 ' HA ' HD12 ' A' ' 21' ' ' ILE . 58.7 m -89.52 131.87 35.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.461 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 56' ' ' SER . 36.0 m-85 -147.86 131.8 17.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.476 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 1.2 t-20 -97.04 164.43 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.15 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 76' ' ' ILE . 6.6 t -138.68 115.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.232 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -109.57 102.46 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.672 ' C ' HD13 ' A' ' 15' ' ' LEU . 9.2 tpt -127.16 147.2 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.685 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.716 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.9 tt0 -69.85 99.92 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.555 HG22 HD12 ' A' ' 72' ' ' ILE . 50.6 t -91.84 144.19 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -114.58 -25.42 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.67 -177.88 0.84 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.774 0.321 . . . . 0.0 111.005 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.944 ' HB3' HG21 ' A' ' 10' ' ' ILE . 10.6 pt-20 -54.5 -35.69 63.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.8 t -50.49 -52.91 34.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.027 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.526 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.6 mt-10 -64.88 -53.92 39.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.25 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -44.32 -38.93 4.21 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.263 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -67.97 -34.36 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.589 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' GLU . 22.2 tt0 -81.64 -35.23 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.555 HD12 HG22 ' A' ' 63' ' ' VAL . 3.5 mt -69.3 -29.31 41.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.004 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -75.91 -44.31 40.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.14 -28.26 67.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -74.16 -51.01 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.65 HG12 HG21 ' A' ' 20' ' ' VAL . 6.2 tp -66.28 -28.12 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.069 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.6 t -99.53 22.15 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -59.07 -54.43 47.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 79' ' ' LEU . 4.3 mm? -62.31 176.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.27 30.51 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.683 ' HG3' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -98.66 -45.55 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.733 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 28.8 m -51.33 126.11 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.36 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.714 HG21 ' OG1' ' A' ' 23' ' ' THR . 67.2 t -121.71 -35.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -127.59 117.8 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.3 t -127.8 172.05 11.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -69.17 -66.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.659 2.239 . . . . 0.0 112.117 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.59 157.47 37.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.29 166.35 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 m -132.78 36.79 3.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -146.71 130.23 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -79.62 154.49 76.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.498 ' O ' HG22 ' A' ' 9' ' ' THR . 18.6 Cg_endo -59.03 -43.75 40.24 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.562 2.175 . . . . 0.0 112.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 8' ' ' PRO . 11.3 t 47.38 47.99 16.69 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.933 HG21 ' HB3' ' A' ' 66' ' ' GLU . 27.6 mm -112.12 104.35 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.072 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.8 mt -149.36 99.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.995 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.799 ' CE2' HG23 ' A' ' 10' ' ' ILE . 2.4 p90 -148.74 89.56 4.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.743 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.7 Cg_endo -89.48 68.57 2.21 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.623 2.215 . . . . 0.0 112.447 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.98 169.57 17.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.768 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' C ' ' A' ' 61' ' ' MET . 0.9 OUTLIER -76.68 119.2 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -114.24 135.95 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -91.55 145.94 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -124.97 104.83 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.748 ' HD3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -74.65 99.89 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.64 179.72 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.83 ' C ' HD13 ' A' ' 21' ' ' ILE . 20.9 t -117.74 123.19 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.499 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.83 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.6 mm -114.59 140.92 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.778 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.695 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -122.46 152.16 40.56 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.96 0.41 . . . . 0.0 110.794 -179.811 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.636 HG22 ' HB ' ' A' ' 83' ' ' VAL . 2.8 t -129.46 69.59 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.535 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.599 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -144.81 158.32 43.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.073 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 -3.07 33.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.334 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.01 36.06 3.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.1 p -77.51 -4.9 47.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.463 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.407 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 6.9 p -51.87 -25.9 8.95 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.768 0.318 . . . . 0.0 111.247 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.803 ' O ' HD12 ' A' ' 33' ' ' LEU . 4.7 t -81.93 -34.48 29.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.997 0.427 . . . . 0.0 110.506 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' HG ' HD11 ' A' ' 34' ' ' LEU . 25.6 tp -79.93 -37.79 33.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.938 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -62.34 -29.09 70.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -83.85 -31.0 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 29' ' ' THR . 1.4 mt -72.15 -29.07 63.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.039 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.492 HD11 ' HG ' ' A' ' 30' ' ' LEU . 9.6 mt -90.16 -32.46 16.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -75.72 -24.69 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.257 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 33' ' ' LEU . 10.6 t -56.77 -35.91 69.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 59.17 47.87 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.89 -60.93 3.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HG3' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -93.27 164.8 20.06 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.34 79.55 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.659 2.239 . . . . 0.0 112.586 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 39' ' ' ARG . 46.0 p90 -140.08 168.83 18.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.774 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -140.11 166.81 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.739 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.22 130.45 25.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 2.5 mt-10 -98.26 94.91 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.552 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -59.7 115.14 3.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.792 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -77.42 -35.69 53.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.757 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -145.41 135.92 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 p -139.76 35.2 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -43.43 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -72.04 92.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.7 49.35 1.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -162.46 -49.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -128.11 121.56 29.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -88.55 109.17 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.477 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.644 ' HA ' HD12 ' A' ' 21' ' ' ILE . 69.7 m -98.11 130.98 44.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.217 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -149.11 130.43 14.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.705 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 1.3 t-20 -91.36 164.93 13.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 76' ' ' ILE . 9.5 t -139.33 111.85 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.416 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.61 105.08 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.758 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.511 ' C ' HD23 ' A' ' 15' ' ' LEU . 14.4 tpt -123.8 153.52 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.67 99.9 4.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.577 HG22 HD12 ' A' ' 72' ' ' ILE . 47.2 t -88.23 137.04 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 6.0 m -113.4 -28.33 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.06 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.15 -166.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.056 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.933 ' HB3' HG21 ' A' ' 10' ' ' ILE . 4.2 pt-20 -68.69 -30.61 69.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.4 m -55.28 -50.82 68.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.754 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.608 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -68.09 -54.9 14.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.0 ttt85 -43.41 -35.33 1.54 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.456 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -77.09 -29.48 54.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.642 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' GLU . 20.7 tt0 -82.9 -34.67 26.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 68' ' ' GLU . 6.5 mt -69.68 -28.34 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.068 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -81.41 -45.99 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.231 -179.715 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -67.19 -40.22 86.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 111.022 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.62 -50.3 73.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.521 HD13 HG21 ' A' ' 59' ' ' VAL . 5.5 tp -63.11 -35.77 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.025 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -99.21 26.62 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -40.63 90.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 173.14 8.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -105.96 29.8 6.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.046 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.599 ' HD3' HG21 ' A' ' 24' ' ' THR . 16.7 mmtt -98.35 -56.46 2.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.655 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.695 HG12 ' HG3' ' A' ' 22' ' ' MET . 29.4 m -46.77 133.42 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.414 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.636 ' HB ' HG22 ' A' ' 23' ' ' THR . 66.7 t -127.47 -38.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.136 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.92 107.15 16.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -110.39 169.46 8.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 86' ' ' LEU . 7.1 tt . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtp . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.638 0.256 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.93 -42.36 3.3 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.571 2.18 . . . . 0.0 112.29 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -115.08 163.18 15.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -119.25 -178.37 3.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -137.19 -75.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.07 -166.23 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.796 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.01 111.41 26.82 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.541 ' O ' HG22 ' A' ' 9' ' ' THR . 78.8 Cg_endo -77.26 -23.48 10.22 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.572 2.181 . . . . 0.0 112.51 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 8' ' ' PRO . 13.7 t 47.48 34.31 3.35 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.116 0.484 . . . . 0.0 110.831 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.732 HG21 ' HB3' ' A' ' 66' ' ' GLU . 19.9 mm -144.77 99.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.922 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.654 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.1 mm -143.05 99.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.502 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -149.27 89.0 4.91 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.809 179.321 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 91.3 Cg_endo -83.73 68.73 6.85 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.312 2.008 . . . . 0.0 112.139 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -139.28 170.87 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.309 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.555 HD13 ' C ' ' A' ' 61' ' ' MET . 4.1 mm? -77.3 115.57 17.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -111.27 141.29 44.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -97.65 146.8 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.756 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -129.42 107.05 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.744 ' HD3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -78.33 99.91 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.726 HG21 HG12 ' A' ' 76' ' ' ILE . 18.9 t -112.27 120.13 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 56' ' ' SER . 1.8 mm -109.89 134.33 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.153 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.483 ' HG2' HG12 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -112.18 145.85 39.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.761 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.1 p -120.53 69.95 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.657 HG21 ' HD3' ' A' ' 81' ' ' LYS . 1.4 m -144.29 165.24 28.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -102.2 -10.1 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.08 44.13 1.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.002 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.7 p -78.49 -4.97 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 m -50.58 -29.41 10.74 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.763 0.316 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 t -71.42 -30.06 65.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -80.42 -46.15 16.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -58.52 -30.62 67.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -83.12 -27.54 30.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.82 -35.87 22.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 30' ' ' LEU . 10.1 mt -74.93 -29.06 60.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.35 -5.05 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.547 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.4 p -57.4 -46.62 83.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.751 0.31 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.43 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 4.9 m-85 60.3 35.79 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -62.91 -22.5 66.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.411 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -127.96 165.23 31.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.0 71.81 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.557 2.172 . . . . 0.0 112.623 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 37' ' ' TYR . 27.5 p90 -140.1 157.09 46.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.724 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -136.68 165.7 25.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -140.05 131.06 26.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.0 OUTLIER -99.65 94.53 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.957 0.408 . . . . 0.0 110.513 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -59.62 118.25 5.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -76.1 -35.68 59.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -128.19 -178.01 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.9 p -125.4 -50.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -176.79 37.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.03 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -24.12 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.9 m120 62.22 60.03 1.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.37 14.21 32.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.479 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER 78.04 -6.13 2.0 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.817 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 8.5 m-85 -138.49 117.5 12.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 6.5 m-85 -98.14 109.3 22.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.542 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.789 ' HA ' HD12 ' A' ' 21' ' ' ILE . 19.4 m -88.43 126.75 35.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.215 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 55' ' ' TYR . 68.1 m-85 -136.46 137.69 40.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.785 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.432 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 3.1 m-20 -103.76 160.22 14.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.439 HG21 HD13 ' A' ' 76' ' ' ILE . 5.6 t -139.5 113.47 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.376 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.34 101.6 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.759 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.555 ' C ' HD13 ' A' ' 15' ' ' LEU . 13.1 tpt -124.27 154.57 40.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.538 ' HG2' HD21 ' A' ' 15' ' ' LEU . 20.6 mt-10 -76.89 105.9 8.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.58 HG22 HD12 ' A' ' 72' ' ' ILE . 66.9 t -92.98 138.8 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 45.8 m -112.48 -29.14 7.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.82 -172.8 0.55 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.732 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -56.25 -31.71 63.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -54.47 -53.43 54.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.542 ' O ' HG13 ' A' ' 72' ' ' ILE . 9.3 mm-40 -63.56 -51.8 63.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.438 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -45.12 -30.17 1.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.322 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -79.04 -33.09 45.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.694 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.3 tt0 -81.88 -37.85 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.624 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.58 HD12 HG22 ' A' ' 63' ' ' VAL . 4.0 mt -68.88 -28.58 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.454 ' CZ ' HG21 ' A' ' 85' ' ' THR . 16.2 t80 -78.59 -49.4 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -70.5 -29.68 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -48.5 70.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.168 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.726 HG12 HG21 ' A' ' 20' ' ' VAL . 7.0 tp -67.79 -31.14 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.096 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 p -97.02 24.04 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.486 ' OE1' HD12 ' A' ' 79' ' ' LEU . 7.1 tm0? -58.34 -42.8 87.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.486 HD12 ' OE1' ' A' ' 78' ' ' GLN . 6.3 mp -79.82 -178.98 6.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -110.24 29.64 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.657 ' HD3' HG21 ' A' ' 24' ' ' THR . 5.3 mmpt? -96.87 -55.25 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.483 HG12 ' HG2' ' A' ' 22' ' ' MET . 35.4 m -46.12 132.7 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.437 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.761 HG21 ' OG1' ' A' ' 23' ' ' THR . 59.0 t -120.17 -42.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.928 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.04 131.18 56.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.688 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.454 HG21 ' CZ ' ' A' ' 73' ' ' PHE . 8.4 t -132.23 148.3 52.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.687 0.28 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -81.39 53.04 4.53 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.77 2.313 . . . . 0.0 112.643 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t 177.41 177.4 0.34 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.769 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -79.61 121.44 25.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -77.05 -35.56 56.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 148.01 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.616 ' HG3' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -139.22 157.5 70.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 7' ' ' LYS . 31.1 Cg_endo -63.14 74.05 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.693 2.262 . . . . 0.0 112.456 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.616 HG22 ' HG3' ' A' ' 7' ' ' LYS . 6.9 t -142.42 44.52 1.63 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.877 HG21 ' HB3' ' A' ' 66' ' ' GLU . 19.8 mm -124.36 105.33 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.035 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.9 mt -150.1 99.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.647 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -132.37 89.46 36.69 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.37 179.304 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 92.3 Cg_endo -84.4 68.85 6.33 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.214 1.943 . . . . 0.0 112.147 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.7 p -138.29 169.1 18.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.02 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 62' ' ' GLU . 2.9 mm? -79.12 118.29 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.731 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -118.42 136.98 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -92.32 151.35 20.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.648 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -127.93 107.4 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.068 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 100.04 5.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.909 HG13 HG22 ' A' ' 85' ' ' THR . 21.5 t -114.06 124.32 70.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.47 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.3 mm -111.71 128.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.701 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.845 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.8 mtm -110.79 138.9 46.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.632 HG22 ' HB3' ' A' ' 54' ' ' PHE . 7.7 p -118.21 69.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.586 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.638 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -144.44 153.88 42.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.15 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -99.3 28.19 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -144.61 39.99 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.764 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 p -77.02 -4.8 46.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.531 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -51.01 -26.82 6.61 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.831 0.348 . . . . 0.0 111.017 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 t -77.28 -27.92 53.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.514 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.71 HD13 ' SD ' ' A' ' 22' ' ' MET . 0.2 OUTLIER -83.78 -47.95 10.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -52.73 -27.5 17.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.109 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -89.2 -32.78 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.765 ' O ' HG22 ' A' ' 36' ' ' THR . 3.3 mp -78.05 -28.7 48.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.971 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 43' ' ' LEU . 43.3 mt -84.87 -28.09 26.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -88.08 -18.47 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.36 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 33' ' ' LEU . 13.0 t -51.76 -30.3 22.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.782 0.325 . . . . 0.0 111.031 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 62.21 41.95 10.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' H ' HG23 ' A' ' 36' ' ' THR . 8.8 mm-40 -59.52 -49.87 76.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -112.58 170.64 5.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.686 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 11.9 Cg_exo -71.09 60.29 2.38 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.716 2.277 . . . . 0.0 112.537 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HE2' HD11 ' A' ' 43' ' ' LEU . 2.7 p90 -126.66 141.74 51.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.983 0.421 . . . . 0.0 110.851 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 3.3 tppt? -115.95 157.52 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.643 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.518 HD13 ' HB3' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -129.91 127.44 40.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.42 90.96 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.654 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.72 109.98 1.04 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -68.29 -35.79 78.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.4 ' CB ' ' HG3' ' A' ' 50' ' ' LYS . 13.2 p-10 -126.46 -176.38 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -146.78 -46.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 m -136.29 38.16 2.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HG3' ' CB ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -63.61 -52.09 62.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 m120 59.96 49.73 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -114.42 26.48 10.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.328 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 80.11 -48.4 0.34 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.545 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.632 ' HB3' HG22 ' A' ' 23' ' ' THR . 6.6 p90 -104.17 115.83 31.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.782 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.85 109.29 22.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.761 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 18.4 m -72.27 132.49 44.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.478 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -142.77 142.88 32.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.1 161.44 14.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.406 HG21 ' CD1' ' A' ' 76' ' ' ILE . 7.5 t -143.01 109.97 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.323 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -104.42 114.29 28.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.513 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.601 ' C ' HD13 ' A' ' 15' ' ' LEU . 9.5 tpt -134.29 152.75 51.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.007 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.608 ' HA ' HD22 ' A' ' 15' ' ' LEU . 1.7 tt0 -70.0 100.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.589 HG22 HD12 ' A' ' 72' ' ' ILE . 57.8 t -89.9 138.88 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -107.31 -31.15 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.817 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -176.74 -177.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.877 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -51.73 -30.47 22.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.166 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -55.0 -53.83 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.74 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -65.9 -51.05 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.453 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -43.82 -31.85 0.93 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.65 -33.01 41.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.788 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' GLU . 9.6 tt0 -80.67 -37.81 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.589 HD12 HG22 ' A' ' 63' ' ' VAL . 3.9 mt -68.74 -29.16 42.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.07 -47.97 19.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.246 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -71.95 -30.84 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -68.67 -42.07 78.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.077 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.406 ' CD1' HG21 ' A' ' 59' ' ' VAL . 5.0 tp -72.48 -34.39 48.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 m -97.76 28.15 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -51.94 67.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.93 -176.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.97 30.85 6.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.638 ' HD3' HG21 ' A' ' 24' ' ' THR . 5.0 mmtm -96.68 -52.55 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.845 HG12 ' HG2' ' A' ' 22' ' ' MET . 29.5 m -50.37 140.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.502 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.507 HG21 ' OG1' ' A' ' 23' ' ' THR . 67.5 t -130.9 -42.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.009 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -113.62 106.4 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.909 HG22 HG13 ' A' ' 20' ' ' VAL . 38.1 p -109.88 148.96 30.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.2 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.919 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 9.8 ptm . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.576 0.227 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 1' ' ' MET . 39.9 Cg_endo -67.04 -25.71 43.88 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.375 2.05 . . . . 0.0 112.271 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -60.61 129.32 40.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -138.21 46.1 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -82.08 -43.26 18.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.32 152.41 43.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HG2' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -110.86 139.16 21.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.699 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.439 ' HD2' ' HG2' ' A' ' 7' ' ' LYS . 29.5 Cg_endo -63.33 -31.53 73.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.329 2.019 . . . . 0.0 111.664 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 8.5 t 45.37 58.05 4.44 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.138 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.819 HG21 ' HB3' ' A' ' 66' ' ' GLU . 25.9 mm -105.05 95.29 3.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.807 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.1 mm -143.43 99.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.06 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.736 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.1 p90 -138.54 89.5 13.6 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.728 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.9 Cg_endo -88.28 69.1 3.02 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.557 2.171 . . . . 0.0 112.214 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 p -133.58 -171.99 2.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.865 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 62' ' ' GLU . 4.5 mm? -99.24 107.09 19.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -107.12 148.9 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -101.38 162.02 13.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.443 ' CE2' HG21 ' A' ' 72' ' ' ILE . 93.1 m-85 -134.47 104.72 6.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -80.14 99.81 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.675 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.623 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.4 t -117.46 126.48 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.402 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.5 mm -112.85 129.93 67.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.468 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 1.2 mtt -115.19 143.58 45.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.741 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.772 ' OG1' HG21 ' A' ' 83' ' ' VAL . 6.1 p -120.81 69.84 0.89 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.669 HG21 ' HE3' ' A' ' 81' ' ' LYS . 1.5 m -138.42 149.22 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -96.65 22.94 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -137.68 41.23 2.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.977 0.418 . . . . 0.0 110.472 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -71.53 -8.71 55.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.485 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.432 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 33.1 t -50.18 -33.15 18.25 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -76.6 -28.66 56.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.345 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.563 HD21 HD11 ' A' ' 34' ' ' LEU . 2.7 tp -80.78 -41.94 22.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.76 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 6.4 ptpt -60.3 -21.87 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.23 -33.46 16.16 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.386 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.558 ' C ' HD12 ' A' ' 33' ' ' LEU . 2.2 pp -81.58 -23.04 37.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.228 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.563 HD11 HD21 ' A' ' 30' ' ' LEU . 95.4 mt -81.77 -28.56 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -89.93 -4.77 57.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.431 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 38' ' ' GLN . 12.1 t -47.08 -33.55 5.06 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.752 0.31 . . . . 0.0 111.246 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.24 39.34 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.535 ' H ' HG23 ' A' ' 36' ' ' THR . 4.3 mm-40 -60.97 -55.57 31.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 1.4 ptt85 -112.11 166.88 10.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.649 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 35.2 Cg_endo -65.08 75.1 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.443 2.096 . . . . 0.0 112.391 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -139.18 162.7 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.05 162.75 34.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.763 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -134.27 128.45 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.05 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -96.99 93.6 6.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.76 109.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.807 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -80.72 -36.03 32.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -90.86 104.6 17.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.88 76.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.51 31.2 20.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -39.28 65.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.7 79.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.28 28.11 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.25 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt 80.0 -48.54 0.35 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.471 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CD2' ' CG2' ' A' ' 23' ' ' THR . 2.3 m-85 -104.87 116.2 31.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.802 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -96.05 109.38 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 70.6 m -77.69 134.68 38.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.473 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -141.96 138.68 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.706 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -108.77 157.6 18.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -138.78 114.89 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 112.83 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.7 tpt -137.37 145.4 43.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.655 ' HA ' HD13 ' A' ' 15' ' ' LEU . 11.8 tt0 -69.97 103.84 2.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 92.1 t -89.66 141.78 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.5 m -110.66 -31.24 7.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.775 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -167.39 179.86 4.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.819 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -56.61 -30.94 63.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -53.8 28.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -67.15 -50.86 59.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -41.86 -38.88 1.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.531 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -74.58 -34.06 62.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.684 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.3 tt0 -76.35 -41.25 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.016 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.0 mt -63.6 -28.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.054 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.416 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -80.47 -51.28 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.167 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -27.09 68.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -74.74 -44.14 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 73' ' ' PHE . 5.8 tp -71.04 -35.43 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.436 ' HB3' HG21 ' A' ' 82' ' ' VAL . 19.1 m -100.22 26.89 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -53.3 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.443 HD12 HD21 ' A' ' 33' ' ' LEU . 4.2 mt -60.84 -179.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.02 31.42 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.669 ' HE3' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -93.76 -47.13 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.8 m -53.38 141.89 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.391 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.772 HG21 ' OG1' ' A' ' 23' ' ' THR . 98.1 t -127.3 -46.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -121.05 106.77 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 p -87.92 154.24 20.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.723 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.966 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 40.7 tpp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 1' ' ' MET . 19.4 Cg_endo -59.25 -73.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.448 2.099 . . . . 0.0 112.372 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 p 61.52 117.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.29 -176.35 2.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -144.35 156.76 44.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.95 166.28 25.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.61 82.93 17.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' O ' HG22 ' A' ' 9' ' ' THR . 67.8 Cg_endo -74.2 -21.06 18.23 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.596 2.198 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 8' ' ' PRO . 9.3 t 46.0 50.26 11.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.967 0.413 . . . . 0.0 111.369 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.89 HG21 ' HB2' ' A' ' 66' ' ' GLU . 24.0 mm -147.31 95.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.694 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.705 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.3 mm -143.57 99.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.083 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.736 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.1 p90 -142.74 89.49 8.09 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.894 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 57.8 Cg_endo -91.67 68.41 1.03 Allowed 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.826 2.351 . . . . 0.0 112.539 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.6 169.0 18.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 61' ' ' MET . 4.0 mm? -70.24 108.85 4.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -106.06 137.4 44.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.91 150.31 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -129.13 110.01 11.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -76.35 101.97 5.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.685 ' C ' HD13 ' A' ' 21' ' ' ILE . 17.0 t -123.72 124.89 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.377 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.5 mm -113.89 140.38 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.566 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -115.56 148.32 39.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.52 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.522 HG22 ' HB ' ' A' ' 83' ' ' VAL . 1.4 t -126.39 69.47 1.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.669 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.643 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -140.35 149.3 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.062 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -15.06 40.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.289 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' O ' HG22 ' A' ' 29' ' ' THR . 31.7 t70 -109.66 45.0 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 24' ' ' THR . 72.5 p -77.82 -4.91 48.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.37 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -52.53 -30.65 31.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 26' ' ' ASP . 2.2 t -71.11 -27.21 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.813 HD12 ' HG3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -80.29 -44.41 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -56.39 -30.62 62.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -85.35 -28.2 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD22 HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -81.03 -38.55 27.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.651 HD11 HD22 ' A' ' 30' ' ' LEU . 16.5 mt -71.93 -30.6 65.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.26 -13.14 60.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.391 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.4 p -55.78 -44.47 77.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 58.8 38.93 24.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.25 -31.51 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.19 167.57 12.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.88 65.35 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.427 2.084 . . . . 0.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -134.17 152.87 52.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -132.24 169.31 16.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.79 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mp -139.94 129.58 24.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.4 94.91 6.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.53 109.91 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.578 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -67.4 -36.38 81.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.172 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -129.72 169.52 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.1 -66.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 p -166.73 33.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.747 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.99 -38.22 8.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.46 82.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.8 62.27 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -170.69 -47.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 6.6 m-85 -136.67 116.78 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -87.16 109.2 19.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.709 ' HA ' HD12 ' A' ' 21' ' ' ILE . 23.7 m -90.0 127.91 36.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.008 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -143.46 126.29 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -88.98 162.0 16.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.746 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 t -138.52 110.78 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.456 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -103.45 99.95 9.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.518 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.589 ' C ' HD13 ' A' ' 15' ' ' LEU . 11.9 ttt -120.27 152.56 37.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.71 99.91 2.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.568 HG22 HD12 ' A' ' 72' ' ' ILE . 60.7 t -91.86 138.66 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 23.6 t -109.22 -28.02 9.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.787 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.48 -171.07 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.89 ' HB2' HG21 ' A' ' 10' ' ' ILE . 1.2 tp10 -60.0 -37.69 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.86 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.4 m -49.46 -55.14 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.276 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.534 ' O ' HG13 ' A' ' 72' ' ' ILE . 4.9 mm-40 -62.05 -52.53 63.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.5 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -41.76 -50.21 4.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.548 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -61.2 -32.48 72.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.391 . . . . 0.0 110.654 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.5 tt0 -78.61 -41.3 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.834 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.568 HD12 HG22 ' A' ' 63' ' ' VAL . 3.0 mt -65.05 -25.7 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' CZ ' ' HB ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -77.3 -39.19 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.196 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.15 -36.61 47.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.068 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -62.13 -49.07 77.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.067 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 tp -66.8 -31.07 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.694 ' HA ' HG21 ' A' ' 82' ' ' VAL . 31.2 t -97.25 23.78 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -51.7 68.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.547 HD11 HD22 ' A' ' 33' ' ' LEU . 2.0 mp -59.58 -178.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -110.63 30.86 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.813 ' HG3' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -102.05 -61.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.792 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.694 HG21 ' HA ' ' A' ' 77' ' ' SER . 18.7 m -46.34 133.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.547 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.522 ' HB ' HG22 ' A' ' 23' ' ' THR . 76.3 t -128.48 -37.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -93.92 130.9 39.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 73' ' ' PHE . 72.9 p -132.52 118.02 18.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.706 0.288 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.72 -30.91 17.11 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.513 2.142 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -125.65 107.05 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -117.66 168.99 9.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.08 122.73 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 166.11 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.528 ' HD3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -170.92 158.29 5.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.158 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' O ' ' HB ' ' A' ' 9' ' ' THR . 1.3 Cg_endo -82.95 -52.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 123.094 2.529 . . . . 0.0 111.521 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.461 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 15.2 t -179.32 37.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.911 HG21 ' HB3' ' A' ' 66' ' ' GLU . 19.8 mm -106.8 98.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.528 HD11 ' HD3' ' A' ' 7' ' ' LYS . 14.0 mt -146.79 99.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.652 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -144.64 89.58 6.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.728 179.811 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.503 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.8 Cg_endo -88.01 68.25 3.33 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.56 2.173 . . . . 0.0 112.449 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.03 168.45 21.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD12 ' C ' ' A' ' 61' ' ' MET . 4.0 tp -69.91 120.98 16.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -114.86 138.99 50.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -93.37 148.99 21.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.76 110.86 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.482 HH11 HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -80.64 99.82 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.595 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.84 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.6 t -117.19 124.12 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.373 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.84 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.5 mm -115.4 131.07 68.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.092 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.467 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -111.84 145.41 39.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.759 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.723 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.4 p -120.72 69.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.076 0.465 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -144.16 150.26 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 26.74 4.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.033 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -139.43 37.61 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p -74.52 -6.65 49.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.566 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 23.1 m -52.68 -25.8 11.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.828 0.346 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.867 ' O ' HD12 ' A' ' 33' ' ' LEU . 8.9 t -83.68 -33.55 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.352 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.822 HD13 ' HG ' ' A' ' 79' ' ' LEU . 57.6 tp -80.43 -34.69 35.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -65.4 -29.92 70.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.85 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -84.14 -28.58 27.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.853 179.759 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -76.66 -28.84 56.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -86.35 -29.11 23.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.17 -8.88 59.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.565 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 33' ' ' LEU . 9.0 t -58.07 -38.91 77.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 8.2 m-85 57.79 45.2 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -62.1 -42.15 98.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.751 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 15.2 ptp180 -119.73 167.17 12.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.579 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 32.9 Cg_exo -60.34 75.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.674 2.249 . . . . 0.0 112.572 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CE2' ' HA ' ' A' ' 37' ' ' TYR . 13.3 p90 -140.06 147.14 39.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.638 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -131.34 164.02 26.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' HG ' ' HA ' ' A' ' 59' ' ' VAL . 2.4 mp -140.31 129.94 24.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 2.0 mt-10 -97.57 94.19 6.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.0 0.428 . . . . 0.0 110.387 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -59.47 111.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.925 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -36.22 65.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -114.03 -175.18 2.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.778 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 t -159.86 82.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m 56.5 30.63 17.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.063 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -68.74 -32.84 72.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 59.55 79.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.47 20.78 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.294 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 tttt 79.82 -8.28 1.57 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.835 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -140.27 122.58 15.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.994 0.426 . . . . 0.0 111.015 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -105.21 109.08 20.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.426 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.728 ' HA ' HD12 ' A' ' 21' ' ' ILE . 48.5 t -91.38 122.77 34.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.173 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -138.24 128.84 26.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 2.4 m-20 -89.53 160.75 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 76' ' ' ILE . 3.7 t -141.05 116.19 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 111.67 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.518 ' HB3' HD11 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -109.59 125.22 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.372 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.522 ' C ' HD12 ' A' ' 15' ' ' LEU . 7.7 tpt -146.39 150.5 35.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.892 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -72.68 99.99 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.463 HG22 HD12 ' A' ' 72' ' ' ILE . 64.5 t -91.56 141.15 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.0 t -113.42 -29.9 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.049 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -171.41 -176.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.157 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.911 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -54.4 -29.97 50.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.41 -51.53 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.807 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' HG13 ' A' ' 72' ' ' ILE . 12.1 mm-40 -65.86 -49.96 66.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.469 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.82 -30.29 0.95 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.372 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -83.39 -30.26 27.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' GLU . 4.8 tt0 -83.09 -36.77 24.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.636 ' O ' HG22 ' A' ' 76' ' ' ILE . 4.2 mt -72.51 -30.87 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -76.87 -43.55 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -70.05 -36.88 75.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -61.04 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 72' ' ' ILE . 5.2 tp -56.43 -32.06 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.66 22.35 13.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.775 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -32.0 63.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 0.0 110.752 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.822 ' HG ' HD13 ' A' ' 30' ' ' LEU . 4.0 mm? -63.27 -175.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.27 20.92 11.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -36.2 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.746 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.467 HG12 ' HG3' ' A' ' 22' ' ' MET . 19.1 m -56.45 132.85 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.723 HG21 ' OG1' ' A' ' 23' ' ' THR . 77.1 t -122.42 -40.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -115.02 133.9 55.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -141.11 139.17 33.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.5 tp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.002 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 120.527 0.203 . . . . 0.0 111.328 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 73.1 Cg_endo -75.92 -27.52 8.5 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.499 2.133 . . . . 0.0 112.336 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p -143.51 -168.56 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.54 163.26 31.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.63 -78.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.41 175.27 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -169.5 157.36 6.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 7' ' ' LYS . 19.7 Cg_endo -58.36 -17.28 32.66 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.606 2.204 . . . . 0.0 112.583 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -107.66 76.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 110.804 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.92 HG21 ' HB3' ' A' ' 66' ' ' GLU . 23.3 mm -131.37 91.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 10' ' ' ILE . 11.9 mm -143.85 99.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.028 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -150.14 89.1 4.63 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 94.0 Cg_endo -82.76 62.59 7.83 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.341 2.027 . . . . 0.0 112.162 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.45 173.95 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.146 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 122.32 24.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -119.81 141.46 49.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' HB2' ' ND2' ' A' ' 58' ' ' ASN . 10.8 p-10 -87.8 153.43 21.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -131.12 104.45 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.092 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -72.42 103.28 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.621 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.817 ' C ' HD13 ' A' ' 21' ' ' ILE . 16.1 t -121.91 125.81 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.455 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.817 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.5 mm -114.91 137.94 46.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.619 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -117.07 145.44 43.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.926 0.393 . . . . 0.0 110.761 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.651 ' OG1' HG21 ' A' ' 83' ' ' VAL . 9.6 p -124.57 69.59 1.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.624 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.656 HG21 ' CE ' ' A' ' 81' ' ' LYS . 2.6 m -130.34 154.87 47.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -98.98 28.62 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.834 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -162.09 47.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.728 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -74.31 -7.15 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.426 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.2 p -49.06 -29.43 5.08 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -76.86 -40.94 45.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' HG ' HD11 ' A' ' 34' ' ' LEU . 43.7 tp -75.26 -31.64 60.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.811 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -61.97 -39.08 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -75.98 -29.31 58.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.748 ' O ' HG22 ' A' ' 36' ' ' THR . 2.0 mm? -71.1 -29.23 65.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD11 ' HG ' ' A' ' 30' ' ' LEU . 7.9 mt -90.0 -32.12 16.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.87 -5.21 55.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.507 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 33' ' ' LEU . 11.2 t -73.83 -32.55 63.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.756 0.312 . . . . 0.0 111.01 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 60.73 46.77 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -58.46 -30.08 66.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 3.7 ptp85 -131.13 170.57 10.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.737 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 16.6 Cg_exo -68.2 62.28 1.04 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.647 2.231 . . . . 0.0 112.625 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' HE2' HD11 ' A' ' 43' ' ' LEU . 6.7 p90 -132.33 141.58 49.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.889 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.82 169.86 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.557 HD11 ' HE2' ' A' ' 41' ' ' PHE . 2.1 mp -140.13 129.28 23.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 6.8 mt-10 -97.65 93.42 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.49 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.6 m-30 -59.85 123.7 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -87.6 -35.71 17.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -113.94 -176.66 2.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.8 p -131.15 -85.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -126.08 -10.47 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.677 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -72.73 -59.85 2.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.906 0.384 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.65 90.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.06 -31.0 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -80.33 -54.28 5.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.778 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -113.57 113.66 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -97.09 109.38 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.751 ' HA ' HD12 ' A' ' 21' ' ' ILE . 45.1 m -96.65 120.21 36.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.96 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -137.3 140.04 41.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.493 ' ND2' ' HB2' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -99.67 162.73 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.673 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -139.15 113.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.408 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.86 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.4 ttt -139.23 153.94 47.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.91 124.04 23.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.935 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 58.5 t -114.27 138.57 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.96 0.41 . . . . 0.0 111.222 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -107.39 -30.27 8.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.59 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.15 -176.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.791 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.92 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -51.5 -28.6 13.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.189 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -57.27 12.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.559 ' O ' HG13 ' A' ' 72' ' ' ILE . 6.0 mm-40 -65.27 -50.8 64.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -40.8 3.17 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.483 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -71.92 -31.42 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.6 tt0 -80.3 -35.82 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.016 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.8 mt -68.66 -28.75 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.724 0.297 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -80.86 -48.64 12.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.315 -179.683 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -35.64 80.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.123 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -67.52 -48.87 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 73' ' ' PHE . 4.5 tp -64.18 -31.85 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -99.17 24.05 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -65.49 -43.67 89.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.4 -179.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -111.15 31.98 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.656 ' CE ' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER -101.43 -54.96 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.79 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.619 HG12 ' HG3' ' A' ' 22' ' ' MET . 19.8 m -49.88 125.88 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.419 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.651 HG21 ' OG1' ' A' ' 23' ' ' THR . 65.3 t -120.4 -36.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.202 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -118.81 106.05 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.734 HG22 HG13 ' A' ' 20' ' ' VAL . 29.9 p -115.43 151.25 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.833 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 120.601 0.239 . . . . 0.0 111.51 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 60.5 Cg_endo -72.89 -30.51 11.12 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.496 2.131 . . . . 0.0 112.405 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 m -73.33 173.3 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 60.23 -178.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.0 42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.17 136.47 40.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -59.76 156.05 37.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.792 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' O ' ' CG2' ' A' ' 9' ' ' THR . 13.6 Cg_endo -56.58 -52.76 6.29 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.653 2.235 . . . . 0.0 112.152 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 6.4 t 45.61 59.99 3.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.185 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.933 HG21 ' HB3' ' A' ' 66' ' ' GLU . 25.8 mm -121.36 95.6 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.934 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.698 HD13 ' O ' ' A' ' 10' ' ' ILE . 11.9 mm -143.97 99.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.049 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.65 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.3 p90 -147.97 89.31 5.31 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.027 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 59.7 Cg_endo -91.11 68.2 1.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.898 2.399 . . . . 0.0 112.439 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.5 m -149.04 173.83 12.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -70.73 115.07 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -111.1 126.91 55.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -83.63 149.61 26.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.607 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.406 ' OH ' HG21 ' A' ' 63' ' ' VAL . 86.0 m-85 -130.77 100.86 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.052 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.572 ' CD ' HD11 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -73.76 101.54 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.436 179.696 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.627 ' C ' HD13 ' A' ' 21' ' ' ILE . 19.4 t -116.07 121.95 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.494 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -109.3 133.16 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.725 ' CG ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -114.43 143.63 44.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.883 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.647 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.8 p -121.73 69.37 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.6 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.741 HG21 ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -148.98 147.08 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.96 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -86.31 2.98 45.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.373 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.69 38.64 2.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 24' ' ' THR . 61.2 p -76.08 -6.28 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.392 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 p -55.84 -43.98 77.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.769 0.319 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.6 t -69.24 -33.98 74.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.889 HD13 HD21 ' A' ' 79' ' ' LEU . 35.9 tp -77.82 -31.08 51.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.62 -21.68 61.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.28 -28.76 18.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.367 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.65 ' O ' HG22 ' A' ' 36' ' ' THR . 3.0 pp -83.19 -20.91 33.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.492 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD22 HD21 ' A' ' 43' ' ' LEU . 28.7 mt -84.1 -32.88 24.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.918 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -84.32 -4.86 59.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.494 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 33' ' ' LEU . 8.8 t -53.16 -34.06 55.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.805 0.336 . . . . 0.0 111.229 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 58.03 46.78 15.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -69.28 -40.64 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.041 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.63 169.27 12.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.741 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.88 72.61 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.797 2.332 . . . . 0.0 112.437 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -140.13 141.54 36.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 165.44 18.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.799 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.4 HD21 HD22 ' A' ' 34' ' ' LEU . 4.3 mp -134.62 132.46 39.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -100.8 92.11 4.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -59.8 110.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.734 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -57.79 -36.17 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.118 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -141.71 -175.6 4.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.02 -66.76 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 p -129.03 28.78 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -98.81 -24.34 15.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -55.81 91.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.15 -64.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -113.5 -26.68 8.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.309 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -119.0 120.1 36.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.845 0.355 . . . . 0.0 111.294 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -98.13 109.08 21.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.489 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.684 ' HA ' HD12 ' A' ' 21' ' ' ILE . 71.4 m -87.07 136.26 32.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.359 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -149.19 120.3 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.602 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -87.75 157.73 18.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.967 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.449 HG21 HD13 ' A' ' 76' ' ' ILE . 4.5 t -139.54 110.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.53 108.47 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.474 ' C ' HD23 ' A' ' 15' ' ' LEU . 12.9 ttt -132.05 152.32 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.39 117.47 16.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.445 HG22 HD12 ' A' ' 72' ' ' ILE . 61.9 t -108.86 144.94 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.482 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -114.8 -31.65 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.23 -176.86 2.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.933 ' HB3' HG21 ' A' ' 10' ' ' ILE . 7.4 pt-20 -54.99 -30.21 58.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -56.21 14.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.6 mt-10 -64.47 -48.8 73.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.538 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -44.46 -34.52 2.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.367 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -79.22 -30.88 43.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.3 tt0 -81.66 -36.63 28.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.2 mt -69.48 -29.74 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.248 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -54.73 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -59.36 -30.01 68.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.097 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -70.96 -53.14 15.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.449 HD13 HG21 ' A' ' 59' ' ' VAL . 2.9 tp -64.55 -36.58 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -99.23 27.36 5.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -63.5 -55.17 26.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.889 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -57.42 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -116.92 52.21 0.96 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.741 ' CE ' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER -123.0 -58.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.725 HG12 ' CG ' ' A' ' 22' ' ' MET . 34.9 m -44.18 143.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.685 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.647 HG21 ' OG1' ' A' ' 23' ' ' THR . 67.9 t -122.85 -49.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.185 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.402 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -91.31 128.82 37.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 p -136.28 120.32 17.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.955 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 120.557 0.218 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -81.53 56.15 5.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.537 2.158 . . . . 0.0 112.395 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -132.91 117.03 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.58 -178.22 3.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -101.92 -51.92 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.23 170.17 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.99 154.89 49.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.755 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.531 ' O ' HG22 ' A' ' 9' ' ' THR . 23.8 Cg_endo -61.55 -36.95 73.71 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.496 2.131 . . . . 0.0 112.278 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 8' ' ' PRO . 14.2 t 47.8 46.6 18.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.26 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.892 HG21 ' HB2' ' A' ' 66' ' ' GLU . 24.5 mm -111.01 96.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.751 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.706 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.2 mm -143.8 99.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.203 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.674 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -142.05 89.55 8.74 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.809 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.9 Cg_endo -89.35 68.2 2.32 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.732 2.288 . . . . 0.0 112.583 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.25 163.25 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 120.05 15.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -116.08 140.43 49.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.97 151.08 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -130.87 103.16 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.993 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -70.95 103.92 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.76 HG13 HG22 ' A' ' 85' ' ' THR . 21.7 t -121.85 120.53 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.511 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.79 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.9 mm -115.62 138.27 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.745 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.653 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.9 153.21 36.2 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.003 0.43 . . . . 0.0 110.762 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.617 HG22 ' HB ' ' A' ' 83' ' ' VAL . 1.8 t -131.16 69.11 1.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.285 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.442 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -143.94 150.79 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.142 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -98.32 26.35 5.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -139.2 39.86 2.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 p -76.03 -5.18 45.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.464 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -52.14 -26.36 11.17 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.801 0.334 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.579 HG23 ' CD1' ' A' ' 79' ' ' LEU . 9.7 t -80.94 -30.89 35.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD23 ' HE2' ' A' ' 22' ' ' MET . 11.0 tp -82.79 -41.69 18.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.878 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -30.48 64.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -85.46 -31.22 22.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.787 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.632 ' O ' HG22 ' A' ' 36' ' ' THR . 1.3 mm? -76.59 -28.07 56.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -87.74 -36.45 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -75.54 -7.32 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.339 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 33' ' ' LEU . 12.5 t -58.97 -37.39 76.69 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.799 0.333 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 59.8 47.73 9.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -61.47 -59.33 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER -107.98 170.8 5.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.526 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 29.1 Cg_exo -62.36 74.8 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.612 2.208 . . . . 0.0 112.344 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -140.03 146.64 39.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.878 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.05 169.98 16.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.762 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HG ' HG13 ' A' ' 59' ' ' VAL . 3.3 mp -139.88 139.13 36.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -100.58 97.05 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.439 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -59.79 115.59 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.033 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -89.94 -35.8 15.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -120.11 97.76 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.02 -32.17 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.45 33.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -77.04 -50.2 13.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 59.87 92.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.04 26.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.241 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 78.46 -5.62 2.03 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.761 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 10.5 m-85 -138.78 118.02 12.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -92.45 109.13 20.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.79 ' HA ' HD12 ' A' ' 21' ' ' ILE . 72.2 m -89.1 128.88 35.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.289 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -145.05 126.01 14.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.673 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 3.7 t-20 -91.16 161.49 15.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.905 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.49 HG13 ' HG ' ' A' ' 43' ' ' LEU . 2.2 t -139.36 120.32 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.281 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.04 113.24 25.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.627 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.413 ' HB3' HD13 ' A' ' 72' ' ' ILE . 5.0 ttt -134.17 150.83 51.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.082 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.19 107.07 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 61.5 t -95.73 139.51 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -110.65 -27.86 8.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.875 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -173.88 -178.18 1.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.892 ' HB2' HG21 ' A' ' 10' ' ' ILE . 23.4 tt0 -54.98 -36.73 65.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -48.15 -52.12 22.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.56 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.6 mt-10 -64.79 -50.13 67.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.564 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -35.93 1.62 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.219 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.07 -31.7 56.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.738 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' GLU . 28.8 tt0 -80.02 -38.44 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.924 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.6 mt -68.61 -26.92 34.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.349 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -80.25 -41.24 25.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.415 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 17.1 pt20 -74.31 -38.44 63.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.079 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 5.6 ptpt -64.2 -41.8 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.162 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 5.5 tp -69.51 -38.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.067 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.481 ' CB ' HG21 ' A' ' 82' ' ' VAL . 84.8 p -99.08 28.71 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -37.68 84.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.579 ' CD1' HG23 ' A' ' 29' ' ' THR . 0.8 OUTLIER -73.47 -175.8 2.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.955 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.7 30.43 7.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.063 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.485 ' O ' HG23 ' A' ' 83' ' ' VAL . 6.4 mmpt? -98.87 -58.03 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.77 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.653 HG12 ' HG3' ' A' ' 22' ' ' MET . 35.8 m -48.02 129.26 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.541 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.617 ' HB ' HG22 ' A' ' 23' ' ' THR . 91.4 t -124.09 -36.93 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.068 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -109.86 106.88 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.76 HG22 HG13 ' A' ' 20' ' ' VAL . 77.9 p -120.65 153.69 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.857 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.541 ' H3 ' ' HD2' ' A' ' 2' ' ' PRO . 4.5 mmt . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 120.565 0.222 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.541 ' HD2' ' H3 ' ' A' ' 1' ' ' MET . 67.8 Cg_endo -74.39 -23.85 14.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.459 2.106 . . . . 0.0 112.557 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -137.55 -69.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.72 -171.9 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.186 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.55 76.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -137.48 178.85 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.866 ' HE2' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -124.03 95.78 43.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.6 -19.8 27.64 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.502 2.134 . . . . 0.0 112.663 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.866 HG22 ' HE2' ' A' ' 7' ' ' LYS . 13.2 t -90.21 49.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.95 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.919 HG21 ' HB2' ' A' ' 66' ' ' GLU . 31.4 mm -147.89 97.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 10' ' ' ILE . 11.5 mm -144.23 99.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.155 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.748 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.7 p90 -147.11 89.5 5.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.806 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 60.1 Cg_endo -91.49 68.45 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.809 2.339 . . . . 0.0 112.524 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -143.41 163.2 33.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 118.73 17.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.4 t-105 -114.82 144.24 43.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -92.74 152.33 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -132.31 101.42 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.575 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -77.72 99.96 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.638 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.689 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.8 t -116.06 126.54 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.257 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.689 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.8 mm -110.4 138.16 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.465 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -116.65 145.51 43.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.714 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.611 ' OG1' HG21 ' A' ' 83' ' ' VAL . 6.0 p -122.17 69.8 0.96 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.77 HG21 ' CD ' ' A' ' 81' ' ' LYS . 2.7 m -132.58 156.97 45.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 27.7 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.548 ' O ' HG22 ' A' ' 29' ' ' THR . 0.7 OUTLIER -155.42 49.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -70.91 -9.8 58.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.501 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 16.0 m -51.14 -26.44 6.68 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.861 0.362 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 26' ' ' ASP . 3.4 t -75.99 -28.59 57.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.595 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -80.34 -45.0 18.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.664 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' SER . 49.2 pttt -57.08 -22.93 43.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 1.4 pt-20 -90.2 -30.73 17.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.717 ' O ' HG22 ' A' ' 36' ' ' THR . 1.7 pp -87.15 -23.11 24.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.074 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.617 HD22 HD21 ' A' ' 43' ' ' LEU . 59.8 mt -85.94 -28.24 24.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -90.06 -4.9 57.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.579 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 33' ' ' LEU . 9.8 t -59.49 -40.28 86.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.695 0.283 . . . . 0.0 111.053 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 58.13 44.43 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.074 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -56.63 -38.71 72.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -125.55 171.18 8.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.332 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.448 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 27.3 Cg_exo -63.08 71.37 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.0 112.526 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 39' ' ' ARG . 19.2 p90 -137.8 142.11 40.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' C ' HD12 ' A' ' 43' ' ' LEU . 20.8 mttp -122.11 169.52 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.617 HD21 HD22 ' A' ' 34' ' ' LEU . 4.8 mp -140.14 139.04 35.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.043 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -105.05 91.76 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.456 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.83 118.01 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.047 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.3 -35.74 30.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.719 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -121.96 147.76 45.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -128.45 97.38 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 m 57.16 40.4 28.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.033 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -84.46 -37.38 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 t30 59.31 50.6 7.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.42 24.8 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.45 -49.11 0.4 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.451 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.47 107.66 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -88.45 109.5 20.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.646 ' CB ' HD12 ' A' ' 21' ' ' ILE . 9.3 t -87.31 135.09 33.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 56' ' ' SER . 26.8 m-85 -147.6 130.81 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.08 162.65 13.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.42 HG21 HD13 ' A' ' 76' ' ' ILE . 4.1 t -141.11 112.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.425 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.87 110.81 23.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.408 ' HB3' HD13 ' A' ' 72' ' ' ILE . 9.2 tpt -133.83 154.37 51.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -74.89 105.69 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.588 HG22 HD12 ' A' ' 72' ' ' ILE . 57.8 t -94.69 139.07 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.9 m -112.52 -29.1 7.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -169.5 -176.81 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.919 ' HB2' HG21 ' A' ' 10' ' ' ILE . 10.6 tt0 -56.8 -37.27 70.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.36 -50.95 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.521 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.8 mt-10 -67.2 -52.74 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -44.32 -31.14 0.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.338 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.45 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 1.5 m-80 -80.01 -32.39 39.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -82.18 -34.97 28.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.741 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.588 HD12 HG22 ' A' ' 63' ' ' VAL . 4.0 mt -70.21 -29.65 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.171 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.97 -45.62 16.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.074 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 70' ' ' ASN . 2.8 pt20 -69.6 -39.71 77.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -60.62 -49.41 77.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 59' ' ' VAL . 5.9 tp -65.41 -35.54 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.925 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.416 ' CB ' HG21 ' A' ' 82' ' ' VAL . 58.7 m -99.85 26.48 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -67.85 -36.83 81.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.46 -177.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -112.42 30.96 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.77 ' CD ' HG21 ' A' ' 24' ' ' THR . 25.9 mmtt -102.55 -48.35 4.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 31.3 m -53.08 139.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.384 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.611 HG21 ' OG1' ' A' ' 23' ' ' THR . 94.4 t -128.34 -43.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.997 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.84 126.51 53.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.402 ' C ' HD12 ' A' ' 86' ' ' LEU . 20.3 p -117.13 143.99 45.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 85' ' ' THR . 8.9 mp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.64 0.257 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.26 -35.9 10.38 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.537 2.158 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.1 p -91.51 145.28 24.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -118.66 160.35 21.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -165.32 -44.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -72.7 159.6 33.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.74 167.48 12.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' O ' ' HB ' ' A' ' 9' ' ' THR . 26.8 Cg_endo -94.46 -75.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 123.392 2.728 . . . . 0.0 111.724 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 8' ' ' PRO . 1.2 t 161.97 80.57 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.886 HG21 ' HB3' ' A' ' 66' ' ' GLU . 22.8 mm -140.86 90.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 111.195 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 10' ' ' ILE . 11.6 mm -144.55 99.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.935 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.587 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -150.1 89.35 4.6 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 61.2 Cg_endo -90.48 65.76 1.68 Allowed 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.744 2.296 . . . . 0.0 112.474 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.0 m -143.8 -178.74 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.038 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 61' ' ' MET . 0.2 OUTLIER -86.35 113.51 22.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.007 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -103.55 156.39 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 4.3 p-10 -111.96 154.39 25.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -137.04 121.63 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.148 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 tpp85 -88.29 99.59 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.672 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.1 t -115.01 129.47 71.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.653 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.672 HD13 ' C ' ' A' ' 20' ' ' VAL . 3.0 mm -118.04 141.94 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.679 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.858 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.7 mtt -118.81 141.42 48.65 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 111.052 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.705 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.2 p -120.77 69.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.646 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.899 HG21 ' HD3' ' A' ' 81' ' ' LYS . 5.8 m -142.88 152.02 41.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.018 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -98.99 28.14 4.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -150.02 47.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.6 p -76.47 -5.04 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.425 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -50.32 -27.87 6.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.84 0.353 . . . . 0.0 111.144 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -77.55 -29.0 52.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.727 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.563 HD12 ' HG3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -81.55 -43.92 18.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.946 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -52.97 -32.21 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.923 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -86.81 -29.2 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 36' ' ' THR . 1.5 mm? -77.8 -33.6 52.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.2 mt -83.94 -33.45 24.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -77.4 -4.97 48.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.422 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 33' ' ' LEU . 11.0 t -57.44 -37.73 73.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.876 0.369 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 41' ' ' PHE . 6.7 m-85 58.98 46.96 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -57.8 -45.68 85.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.651 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -121.2 167.2 13.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.489 179.651 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 23.5 Cg_endo -61.8 75.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.48 2.12 . . . . 0.0 112.55 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 39' ' ' ARG . 23.6 p90 -140.08 158.09 44.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -140.07 167.56 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.366 . . . . 0.0 111.069 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -135.89 129.71 32.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.783 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.84 96.82 9.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.888 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -59.8 120.81 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -36.13 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.995 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.477 ' O ' HG23 ' A' ' 48' ' ' THR . 2.5 p-10 -100.61 -179.12 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 47' ' ' ASN . 0.8 OUTLIER -160.41 54.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 m 60.41 38.42 19.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -81.42 -1.52 45.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.37 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 60.26 69.06 0.72 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.846 0.355 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.54 10.18 11.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.611 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? 77.9 -49.34 0.49 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 111.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -105.31 117.63 34.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.625 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -95.37 109.3 21.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.66 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 21' ' ' ILE . 14.6 t -78.42 135.82 37.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.138 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -142.09 124.56 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.716 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -91.68 165.69 13.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.453 HG21 HD13 ' A' ' 76' ' ' ILE . 42.6 t -141.37 138.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.063 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 m -135.93 113.05 10.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.63 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.857 ' HG3' HD13 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -145.06 167.23 23.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.165 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -85.67 133.06 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG11 ' HD2' ' A' ' 69' ' ' ARG . 60.5 t -122.81 140.77 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.646 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 31.5 t -113.46 -25.39 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.349 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.37 -175.35 0.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.876 0.369 . . . . 0.0 111.117 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.886 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -57.28 -33.93 68.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -51.16 -57.2 9.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.4 mt-10 -61.82 -52.17 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.076 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.485 ' HD2' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -42.57 -52.91 4.62 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.468 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.84 -30.06 67.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -37.75 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.857 HD13 ' HG3' ' A' ' 61' ' ' MET . 4.0 mt -68.0 -30.55 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.02 -57.58 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.091 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.15 -29.64 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.8 -56.67 10.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.581 HG12 HG21 ' A' ' 20' ' ' VAL . 5.8 tp -62.55 -31.09 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m -97.43 22.52 8.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -60.54 -52.31 65.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 79' ' ' LEU . 3.5 mm? -64.8 172.2 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -108.88 32.63 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.899 ' HD3' HG21 ' A' ' 24' ' ' THR . 12.5 mmtm -105.69 -55.69 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.794 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.858 HG12 ' HG2' ' A' ' 22' ' ' MET . 34.8 m -44.45 135.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.595 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.705 HG21 ' OG1' ' A' ' 23' ' ' THR . 60.6 t -119.33 -45.39 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -97.21 120.34 37.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -123.31 132.34 53.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 86' ' ' LEU . 1.7 tt . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.007 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.7 0.286 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.54 -26.97 69.75 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.572 2.181 . . . . 0.0 112.182 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -74.27 173.43 10.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.15 158.35 44.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.59 -175.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.86 134.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.04 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 91.6 10.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' O ' ' CG2' ' A' ' 9' ' ' THR . 52.4 Cg_endo -69.3 -30.81 23.8 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.562 2.175 . . . . 0.0 112.472 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 9.6 t 45.09 55.03 6.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.38 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.903 HG21 ' HB3' ' A' ' 66' ' ' GLU . 13.7 mm -140.14 96.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.799 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.1 mm -143.33 99.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.718 ' CE2' HG23 ' A' ' 10' ' ' ILE . 5.9 p90 -143.62 89.72 7.35 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.828 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.5 Cg_endo -89.15 68.43 2.42 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.543 2.162 . . . . 0.0 112.58 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.03 165.11 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.824 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 109.85 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -106.02 138.12 42.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.07 151.42 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -128.85 103.79 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.039 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 100.12 4.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.499 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.788 HG13 HG22 ' A' ' 85' ' ' THR . 18.3 t -121.15 126.1 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.573 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.676 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.8 mm -111.05 141.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.634 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -118.92 141.6 48.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.587 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.496 ' CG2' HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -123.78 69.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.464 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.782 HG21 ' CD ' ' A' ' 81' ' ' LYS . 2.1 m -136.56 152.37 50.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.209 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -88.81 -14.15 37.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.222 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 24' ' ' THR . 1.1 t70 -110.97 49.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 p -77.51 -5.0 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.418 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -26.05 36.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.825 0.345 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.604 ' O ' HD13 ' A' ' 33' ' ' LEU . 10.2 t -80.44 -33.48 36.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.412 . . . . 0.0 110.505 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.661 ' HG ' HD11 ' A' ' 34' ' ' LEU . 46.8 tp -80.74 -40.84 24.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -30.42 69.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 36' ' ' THR . 11.9 pt-20 -83.7 -29.65 27.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 29' ' ' THR . 3.1 mp -72.17 -37.23 69.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.748 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.661 HD11 ' HG ' ' A' ' 30' ' ' LEU . 3.6 mt -76.02 -31.75 59.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.1 -8.11 55.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.361 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 32' ' ' GLU . 81.8 p -58.6 -44.92 90.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 56.18 35.44 25.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.22 -31.33 71.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -116.67 170.68 5.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.721 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 64.9 Cg_endo -74.03 59.02 4.33 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.519 2.146 . . . . 0.0 112.236 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -121.96 153.28 38.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -128.67 165.46 20.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.619 HD21 HD22 ' A' ' 34' ' ' LEU . 1.9 mp -140.0 130.97 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -100.58 90.4 4.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.98 109.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -60.55 -35.83 76.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -137.34 176.92 8.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.9 -48.42 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -173.64 34.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -43.26 6.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.81 91.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.21 51.27 2.0 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 7.9 mttp -161.59 -50.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 53' ' ' LYS . 7.7 m-85 -136.13 118.18 15.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -86.64 109.26 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.647 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.66 ' HA ' HD12 ' A' ' 21' ' ' ILE . 72.8 m -89.6 123.27 33.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -137.11 130.3 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.5 163.1 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.509 HG21 HD13 ' A' ' 76' ' ' ILE . 3.9 t -140.16 111.71 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.236 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.0 m -105.39 108.66 20.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.5 tpt -131.13 154.81 47.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.61 100.52 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.616 HG22 HD12 ' A' ' 72' ' ' ILE . 43.9 t -90.01 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 7.5 t -113.86 -28.73 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.09 -169.0 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.036 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.903 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -59.75 -36.41 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -51.7 -51.66 54.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.3 mt-10 -68.05 -53.08 28.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -31.36 0.93 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.373 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.67 -31.23 36.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.745 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.7 tt0 -81.9 -36.83 27.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.616 HD12 HG22 ' A' ' 63' ' ' VAL . 4.4 mt -69.88 -30.58 44.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.52 ' O ' HG22 ' A' ' 76' ' ' ILE . 53.5 t80 -77.36 -43.63 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.039 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -69.31 -30.34 68.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -67.59 -42.71 82.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 73' ' ' PHE . 5.4 tp -71.39 -30.94 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.965 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.449 ' HA ' HG21 ' A' ' 82' ' ' VAL . 5.9 t -99.5 26.34 6.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.769 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -35.52 78.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -176.89 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.27 29.77 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.782 ' CD ' HG21 ' A' ' 24' ' ' THR . 18.9 mmtm -98.59 -61.39 1.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.634 HG12 ' HG3' ' A' ' 22' ' ' MET . 31.1 m -45.42 134.93 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.532 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.496 HG21 ' CG2' ' A' ' 23' ' ' THR . 75.0 t -127.69 -39.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.99 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.7 132.3 46.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.788 HG22 HG13 ' A' ' 20' ' ' VAL . 9.9 p -140.59 137.93 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.964 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.722 0.296 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.99 61.39 3.88 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.654 2.236 . . . . 0.0 112.27 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -174.37 177.15 2.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -79.96 154.62 28.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -129.49 -45.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -69.96 170.74 10.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.76 ' HG3' HG22 ' A' ' 9' ' ' THR . 3.3 ptmt -59.02 157.54 20.65 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 7' ' ' LYS . 29.3 Cg_endo -61.76 74.4 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.801 2.334 . . . . 0.0 112.497 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.76 HG22 ' HG3' ' A' ' 7' ' ' LYS . 10.2 t -146.34 73.2 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.698 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.828 HG23 ' CE2' ' A' ' 12' ' ' TYR . 25.8 mm -131.08 100.24 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.256 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 10' ' ' ILE . 11.1 mm -144.74 99.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.159 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.828 ' CE2' HG23 ' A' ' 10' ' ' ILE . 2.4 p90 -148.48 89.46 5.1 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 61.0 Cg_endo -90.57 68.43 1.54 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.724 2.283 . . . . 0.0 112.536 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.38 174.34 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.794 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 61' ' ' MET . 0.2 OUTLIER -79.19 120.92 24.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.402 ' O ' ' HE1' ' A' ' 61' ' ' MET . 14.5 t-105 -112.58 161.21 17.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.7 141.79 47.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.43 ' CE2' ' CE ' ' A' ' 61' ' ' MET . 46.6 m-85 -127.01 116.44 20.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.148 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.573 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -80.1 100.21 8.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.531 179.602 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.814 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.7 t -110.85 125.24 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.418 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.814 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.3 mm -113.92 135.53 53.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.46 143.77 47.34 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.975 0.417 . . . . 0.0 110.581 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.507 ' CG2' HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -124.44 69.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.448 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.782 HG21 ' HD3' ' A' ' 81' ' ' LYS . 1.8 m -132.68 152.39 51.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.65 26.58 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -150.14 48.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.645 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -75.5 -5.66 46.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.52 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.1 m -53.36 -27.21 22.51 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.88 0.371 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -81.18 -32.55 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.393 . . . . 0.0 110.382 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 79' ' ' LEU . 12.5 tp -81.0 -42.51 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -54.45 -34.8 62.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.01 -31.05 31.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.824 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.713 ' O ' HG22 ' A' ' 36' ' ' THR . 4.1 mp -79.06 -25.59 43.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.596 ' HB3' HD22 ' A' ' 43' ' ' LEU . 97.0 mt -88.26 -30.49 19.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.02 -11.06 48.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.358 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 33' ' ' LEU . 10.2 t -56.45 -34.87 67.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 58.34 48.02 13.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -56.75 -47.52 79.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.766 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -112.93 167.19 9.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 35.4 Cg_endo -65.27 73.19 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.505 2.136 . . . . 0.0 112.432 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.407 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 27.9 p90 -140.02 160.91 38.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.707 ' O ' HD12 ' A' ' 43' ' ' LEU . 1.5 mtmp? -136.09 157.96 45.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 42' ' ' LYS . 8.8 mp -130.19 120.71 24.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -96.43 89.85 5.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.663 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.23 136.58 58.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.424 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -84.13 -36.45 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.957 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -127.5 137.22 52.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -79.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.1 p -162.56 30.86 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.782 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -91.7 -34.97 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.783 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -72.5 92.61 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.76 53.53 2.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.16 -47.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -140.06 113.17 8.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -93.92 109.37 21.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.647 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.724 ' CB ' HD12 ' A' ' 21' ' ' ILE . 36.8 m -99.64 130.53 45.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.374 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.625 ' CZ ' HD11 ' A' ' 76' ' ' ILE . 26.5 p90 -144.8 169.88 17.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.05 164.1 17.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.055 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.654 HG13 HD11 ' A' ' 43' ' ' LEU . 21.2 t -136.35 109.86 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -106.66 110.52 22.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.724 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.793 ' CG ' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -140.55 171.93 13.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.85 133.38 37.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 63.1 t -130.83 139.78 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 62.2 m -112.75 -29.28 7.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.58 -176.07 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.067 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.708 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -53.56 -29.61 37.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.043 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -55.35 20.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.578 ' O ' HG13 ' A' ' 72' ' ' ILE . 4.2 mt-10 -63.76 -50.35 69.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.36 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -44.71 -32.1 1.4 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.37 -31.65 48.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.4 tt0 -82.48 -34.97 27.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.793 HD13 ' CG ' ' A' ' 61' ' ' MET . 5.1 mt -71.49 -25.96 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.269 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -42.29 23.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.323 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 1.0 OUTLIER -72.03 -24.92 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.19 -179.832 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -49.66 21.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.057 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.625 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 3.4 tp -68.3 -29.69 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.944 0.402 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 t -99.57 24.56 8.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.769 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -59.49 -36.84 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -89.71 -176.8 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -110.23 37.16 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.004 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.782 ' HD3' HG21 ' A' ' 24' ' ' THR . 2.1 mmtp -98.33 -61.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.791 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 30.8 m -46.37 135.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.608 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.507 HG21 ' CG2' ' A' ' 23' ' ' THR . 65.0 t -129.41 -39.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.145 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.79 105.26 11.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -119.11 154.29 33.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.649 ' OXT' HD23 ' A' ' 86' ' ' LEU . 8.2 tt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.965 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.77 0.319 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.4 -46.08 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.589 2.193 . . . . 0.0 112.364 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.45 124.95 50.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.5 -177.05 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -70.63 -30.24 66.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -100.49 131.67 46.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 87.78 3.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' O ' ' CG2' ' A' ' 9' ' ' THR . 56.8 Cg_endo -70.62 -26.97 22.94 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.594 2.196 . . . . 0.0 112.568 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 9.7 t 44.74 53.92 6.99 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.252 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.861 HG21 ' HB3' ' A' ' 66' ' ' GLU . 14.6 mm -145.33 98.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.793 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.721 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.3 mm -143.39 99.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -140.24 89.6 10.81 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.82 179.323 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.2 Cg_endo -88.65 68.4 2.8 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.666 2.244 . . . . 0.0 112.472 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.05 164.76 29.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD23 ' C ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -73.18 117.27 14.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -115.0 133.51 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.04 153.43 21.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -131.57 105.52 7.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.155 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.07 101.6 4.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.734 ' C ' HD13 ' A' ' 21' ' ' ILE . 19.9 t -120.1 126.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.434 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.7 mm -112.43 144.87 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.753 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.859 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.5 mtt -121.11 141.52 50.72 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.838 0.351 . . . . 0.0 110.509 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' HB ' ' A' ' 83' ' ' VAL . 1.4 t -124.43 69.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.428 HG21 ' CE ' ' A' ' 81' ' ' LYS . 1.7 m -139.22 155.31 47.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.042 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.32 28.61 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.84 31.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.3 p -71.15 -10.33 59.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.348 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.4 p -49.25 -32.27 10.38 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.749 0.309 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.501 ' O ' HD23 ' A' ' 33' ' ' LEU . 9.9 t -64.11 -30.09 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.59 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.06 -39.16 56.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.679 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -54.05 -25.84 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.043 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 36' ' ' THR . 2.9 mm-40 -85.1 -41.38 15.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.061 0.457 . . . . 0.0 110.419 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 29' ' ' THR . 4.1 mm? -71.31 -30.82 66.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.59 HD11 HD22 ' A' ' 30' ' ' LEU . 10.1 mt -82.73 -34.16 27.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -75.26 -8.14 55.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.537 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 32' ' ' GLU . 46.1 p -51.07 -48.35 61.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m-85 61.75 31.67 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -56.82 -37.36 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.68 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.57 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 6.4 ptt85 -117.76 163.18 25.37 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.077 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.57 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 28.7 Cg_endo -63.04 70.48 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.374 2.049 . . . . 0.0 112.483 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' ARG . 12.3 p90 -133.15 142.82 48.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.428 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -127.72 165.33 20.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.001 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 42' ' ' LYS . 5.4 mp -137.73 132.11 32.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -101.06 93.09 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.621 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' A' ' 57' ' ' PHE . 3.4 m-85 -59.68 119.7 8.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.015 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 10.7 mmmt -73.47 -35.79 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -131.36 132.33 44.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.5 m -99.16 -31.7 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.748 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.2 m -161.4 31.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -41.18 60.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.85 62.92 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.65 28.66 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.296 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 78.23 -48.71 0.47 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.4 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.77 121.18 43.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.341 . . . . 0.0 110.628 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -82.02 109.15 16.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.691 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 46.4 m -91.1 123.42 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CD2' ' CD1' ' A' ' 45' ' ' PHE . 19.4 m-85 -136.54 139.0 41.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 21.8 m-80 -102.58 160.47 14.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.801 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 76' ' ' ILE . 2.8 t -139.4 112.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.252 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.81 110.31 22.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.596 ' C ' HD23 ' A' ' 15' ' ' LEU . 10.9 tpt -131.81 152.33 51.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -76.06 106.74 7.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.674 HG22 HD12 ' A' ' 72' ' ' ILE . 93.6 t -94.54 141.29 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.1 m -110.22 -30.42 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -171.99 -177.21 1.85 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.861 ' HB3' HG21 ' A' ' 10' ' ' ILE . 8.0 pt-20 -54.55 -33.91 60.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.34 -55.63 17.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.538 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.1 mt-10 -60.39 -50.4 73.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.453 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -45.27 -30.45 1.24 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -79.16 -31.32 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.744 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.6 tt0 -84.85 -33.06 22.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.772 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.674 HD12 HG22 ' A' ' 63' ' ' VAL . 5.2 mt -74.99 -28.8 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -79.71 -37.37 35.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -78.67 -28.09 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.029 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -69.32 -46.26 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.585 HD13 HG21 ' A' ' 59' ' ' VAL . 6.0 tp -68.8 -37.26 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.4 28.52 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.09 -35.8 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mp -82.18 -177.34 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.25 -21.31 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.428 ' CE ' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -49.72 -63.92 0.96 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.859 HG12 ' HG2' ' A' ' 22' ' ' MET . 34.9 m -45.73 147.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.449 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' A' ' 23' ' ' THR . 53.7 t -132.19 -48.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.008 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.41 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 28.5 tp60 -94.04 122.84 36.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.961 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -144.9 99.87 3.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.7 tp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.852 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' CB ' ' CD ' ' A' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 120.571 0.224 . . . . 0.0 111.476 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 1' ' ' MET . 59.1 Cg_endo -72.3 -27.93 15.79 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.449 2.1 . . . . 0.0 112.35 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.88 114.59 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -114.24 163.52 15.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -170.39 136.75 1.37 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -151.75 -178.1 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.724 ' HG3' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.89 103.81 51.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -83.54 14.81 2.28 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.693 2.262 . . . . 0.0 113.037 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.724 HG22 ' HG3' ' A' ' 7' ' ' LYS . 5.2 t -62.14 -17.79 58.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.378 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.786 HG21 ' HB3' ' A' ' 66' ' ' GLU . 26.4 mm -146.86 96.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.39 . . . . 0.0 111.117 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.3 mt -149.23 99.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.864 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.596 ' CE2' HG23 ' A' ' 10' ' ' ILE . 3.5 p90 -142.51 89.45 8.33 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.772 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 57.9 Cg_endo -89.09 68.93 2.42 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.598 2.199 . . . . 0.0 112.265 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.3 p -138.35 167.92 20.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.72 109.69 14.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -107.89 142.46 37.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.19 155.22 17.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.683 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -136.53 107.43 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.677 ' HB2' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -78.77 101.05 7.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.957 HG13 HG22 ' A' ' 85' ' ' THR . 24.7 t -114.05 118.55 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.4 mm -102.61 131.98 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.073 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.468 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -110.68 144.78 39.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.853 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.753 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.3 p -119.42 70.01 0.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.975 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.492 HG21 ' HE2' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -144.54 156.57 44.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 -15.68 20.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.247 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -111.12 46.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.961 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.5 p -77.81 -4.98 49.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.346 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.405 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 9.3 m -50.81 -33.69 24.55 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -74.35 -30.83 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.736 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 47.1 tp -82.21 -35.97 27.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 11.9 pttm -71.08 -20.28 62.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -90.11 -31.0 17.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.08 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.688 ' O ' HG22 ' A' ' 36' ' ' THR . 2.0 pp -80.71 -21.27 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD11 ' HG ' ' A' ' 30' ' ' LEU . 28.2 mt -84.08 -30.06 26.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -83.55 -9.6 58.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.388 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 33' ' ' LEU . 12.3 t -54.04 -28.83 41.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.825 0.345 . . . . 0.0 111.024 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 61.89 43.36 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' H ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -59.22 -29.59 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.724 179.764 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -137.64 167.47 20.34 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.517 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 32.9 Cg_endo -64.65 70.94 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.527 2.151 . . . . 0.0 112.578 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 26.4 p90 -140.1 151.61 45.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.87 166.59 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.761 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -140.14 124.04 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.824 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.8 mm-40 -96.92 93.7 6.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.363 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.56 117.57 5.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.915 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.75 -35.85 51.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -125.1 145.86 49.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.6 p -126.57 97.0 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.04 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.87 33.72 19.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -44.13 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.26 90.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.8 23.18 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.51 -9.29 1.54 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.758 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -140.27 117.93 11.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -109.25 109.27 20.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.701 ' HA ' HD12 ' A' ' 21' ' ' ILE . 70.5 m -81.83 132.17 35.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.171 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -140.28 142.19 35.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.749 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 4.4 m120 -108.55 158.12 17.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.7 t -136.89 109.98 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.339 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.09 106.81 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.43 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ttt -135.18 150.02 50.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.009 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -79.89 99.86 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.592 HG22 HD12 ' A' ' 72' ' ' ILE . 52.0 t -81.18 145.05 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.815 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 22.7 t -114.67 -30.82 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.05 -171.08 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.982 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.786 ' HB3' HG21 ' A' ' 10' ' ' ILE . 10.6 pt-20 -58.12 -30.68 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 m -58.21 -52.48 65.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.533 ' O ' HG13 ' A' ' 72' ' ' ILE . 7.4 mm-40 -64.57 -52.83 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -42.9 -40.24 2.86 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.445 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.49 -34.17 73.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.1 tt0 -78.65 -38.61 39.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.592 HD12 HG22 ' A' ' 63' ' ' VAL . 3.5 mt -65.91 -27.23 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.0 -47.38 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.255 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -27.27 65.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.204 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -76.88 -43.09 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.024 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.412 HG12 HG21 ' A' ' 20' ' ' VAL . 6.2 tp -68.52 -34.93 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.378 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.458 ' HA ' HG21 ' A' ' 82' ' ' VAL . 30.9 t -99.56 27.15 5.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.834 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -67.21 -31.76 72.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.57 -175.67 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.95 29.32 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.492 ' HE2' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -98.76 -58.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.6 m -50.52 136.95 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.468 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.753 HG21 ' OG1' ' A' ' 23' ' ' THR . 94.0 t -123.81 -43.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -120.27 126.84 51.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.957 HG22 HG13 ' A' ' 20' ' ' VAL . 58.0 p -119.36 159.36 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.677 HD13 ' HB2' ' A' ' 19' ' ' ARG . 10.8 tp . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.694 0.283 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.77 -27.66 31.27 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.577 2.184 . . . . 0.0 112.267 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -105.54 124.15 49.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -120.05 105.38 10.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -73.85 -72.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm 63.17 144.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.45 132.56 7.31 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.78 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' O ' HG22 ' A' ' 9' ' ' THR . 59.7 Cg_endo -72.15 -35.9 6.35 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.463 2.109 . . . . 0.0 112.45 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 8' ' ' PRO . 9.5 t 44.39 48.18 8.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.348 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.9 HG21 ' HB3' ' A' ' 66' ' ' GLU . 13.8 mm -144.68 98.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.5 mm -143.41 99.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.078 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.682 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -142.77 89.63 8.02 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.797 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 66.7 Cg_endo -87.01 68.31 4.13 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.656 2.237 . . . . 0.0 112.401 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -141.1 161.97 36.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.663 HD23 ' C ' ' A' ' 61' ' ' MET . 0.6 OUTLIER -71.6 116.88 12.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -114.07 138.59 50.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.13 155.9 19.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -138.88 101.52 4.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.434 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -69.88 106.32 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.573 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.837 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.6 t -122.45 126.09 73.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.5 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.837 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.2 mm -114.51 142.27 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.813 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.823 ' HG2' HG12 ' A' ' 82' ' ' VAL . 3.8 mtt -118.18 142.9 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.514 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.465 ' OG1' HG21 ' A' ' 83' ' ' VAL . 8.2 p -122.29 69.63 0.96 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.751 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.432 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -145.13 154.1 42.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.33 27.25 4.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.949 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.72 38.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.462 HG22 ' HB3' ' A' ' 81' ' ' LYS . 71.1 p -76.28 -5.11 45.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.419 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -49.99 -31.25 12.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 30' ' ' LEU . 8.8 t -67.94 -44.88 75.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.758 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.673 HD23 ' SD ' ' A' ' 22' ' ' MET . 11.1 tp -77.07 -32.59 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' CE ' ' CZ ' ' A' ' 57' ' ' PHE . 15.4 mtpt -70.02 -21.45 63.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.15 -28.26 19.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.348 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 33' ' ' LEU . 2.6 pp -85.66 -26.3 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.266 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.677 HD13 HD22 ' A' ' 43' ' ' LEU . 4.4 pp -90.07 -20.55 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.197 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -27.66 21.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.251 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 33' ' ' LEU . 2.0 t -54.34 -23.75 16.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.446 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 66.06 42.77 3.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -54.43 -43.76 71.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' HG3' ' CE1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -111.11 170.19 5.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.59 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 59.0 Cg_endo -72.42 61.67 3.49 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.436 2.091 . . . . 0.0 112.406 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.631 ' HE2' HD11 ' A' ' 43' ' ' LEU . 7.9 p90 -133.48 147.21 51.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -116.1 169.45 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.677 HD22 HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -140.24 132.05 27.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 7.9 mt-10 -99.21 93.77 6.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.971 0.415 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -59.73 130.4 46.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.962 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -92.05 -35.71 13.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -136.3 -177.91 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 p -144.04 83.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 p 57.95 21.65 7.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.263 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.22 -45.49 5.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -64.44 91.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.5 55.82 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 2.5 mtpt -167.34 -54.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 7.3 m-85 -140.02 115.86 10.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.77 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -80.22 109.16 14.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.553 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.678 ' HA ' HD12 ' A' ' 21' ' ' ILE . 22.9 t -92.13 128.33 37.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.273 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CZ ' ' CE ' ' A' ' 31' ' ' LYS . 35.5 m-85 -145.78 133.94 21.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.576 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.3 t-20 -96.6 162.72 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.418 HG21 HD13 ' A' ' 76' ' ' ILE . 3.0 t -138.07 109.97 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.22 101.82 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.501 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.663 ' C ' HD23 ' A' ' 15' ' ' LEU . 7.2 ttt -123.78 144.92 49.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.005 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.44 100.01 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 93.1 t -85.55 141.64 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.976 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 3.0 p -110.68 -31.27 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -171.45 -176.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.9 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -56.33 -29.59 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -51.01 65.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.521 ' O ' HG13 ' A' ' 72' ' ' ILE . 5.6 mm-40 -68.85 -49.03 61.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.593 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -42.49 -40.41 2.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.442 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -31.98 59.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.4 mt-10 -76.61 -45.09 31.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 68' ' ' GLU . 2.4 mt -63.07 -28.18 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.216 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.18 -46.7 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.348 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 1.2 pp0? -66.1 -30.37 70.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.249 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -75.5 -57.46 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 72' ' ' ILE . 2.4 tp -56.73 -36.34 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.056 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.865 ' HA ' HG21 ' A' ' 82' ' ' VAL . 67.1 m -103.77 24.95 10.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.48 -31.57 60.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -77.57 -176.93 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.24 -19.96 16.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -53.05 -68.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 111.124 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.865 HG21 ' HA ' ' A' ' 77' ' ' SER . 26.1 m -47.46 136.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.478 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.465 HG21 ' OG1' ' A' ' 23' ' ' THR . 69.6 t -128.46 -40.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -100.28 113.92 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.8 p -120.33 114.76 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.884 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.69 0.281 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.63 -34.25 5.8 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.533 2.155 . . . . 0.0 112.255 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -59.54 105.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t0 59.88 83.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -163.02 174.02 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.5 126.55 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.53 159.32 17.68 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.01 -18.47 43.29 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.508 2.138 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.3 m -80.07 69.71 6.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.956 0.408 . . . . 0.0 110.564 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.873 HG21 ' HB3' ' A' ' 66' ' ' GLU . 26.6 mm -139.81 97.04 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.023 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.2 mm -143.82 99.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.977 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.729 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.1 p90 -135.11 89.58 23.49 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.504 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 66.3 Cg_endo -87.67 68.58 3.57 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.471 2.114 . . . . 0.0 112.443 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.55 162.98 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.604 HD13 ' HA ' ' A' ' 62' ' ' GLU . 4.3 mm? -71.05 121.14 17.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -118.51 141.25 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.1 147.39 23.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.563 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.458 ' CD1' ' CZ ' ' A' ' 73' ' ' PHE . 61.2 m-85 -128.65 109.16 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.029 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.537 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -75.86 101.4 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.565 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.76 HG13 HG22 ' A' ' 85' ' ' THR . 20.2 t -118.24 117.69 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.488 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.3 mm -108.75 136.22 45.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.567 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -112.43 146.04 39.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.946 0.403 . . . . 0.0 110.752 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.65 ' OG1' HG21 ' A' ' 83' ' ' VAL . 10.4 p -122.78 69.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.668 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.701 HG21 ' HD2' ' A' ' 81' ' ' LYS . 3.0 m -134.51 157.27 46.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.056 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -100.67 29.89 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -162.79 49.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -77.15 -4.97 47.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.399 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -50.69 -30.3 13.39 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.488 ' O ' HD23 ' A' ' 33' ' ' LEU . 9.6 t -74.43 -30.21 61.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.653 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.47 -36.38 57.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -59.29 -31.63 69.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -83.74 -28.61 28.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 36' ' ' THR . 1.7 mm? -74.73 -28.81 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.653 HD11 HD22 ' A' ' 30' ' ' LEU . 2.9 mt -89.94 -29.83 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -75.86 -13.16 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.488 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 33' ' ' LEU . 8.4 t -56.75 -41.24 77.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.858 0.361 . . . . 0.0 111.096 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 58.86 42.54 19.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.62 -48.43 81.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.07 171.37 4.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.65 74.8 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.765 2.31 . . . . 0.0 112.475 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -140.02 152.45 46.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.997 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -135.38 162.47 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.677 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB3' ' A' ' 34' ' ' LEU . 1.4 mp -140.16 129.19 23.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.5 mm-40 -99.62 92.81 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.558 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -59.65 115.06 3.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.908 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -35.71 72.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -131.1 -176.91 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 p -111.42 -78.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 p -152.34 31.22 0.53 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -99.29 -48.14 4.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -73.08 71.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.818 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.87 -27.79 69.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -66.78 -61.11 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -129.73 115.08 16.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -88.2 109.25 19.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.645 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.782 ' HA ' HD12 ' A' ' 21' ' ' ILE . 74.1 m -86.05 129.32 34.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.173 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -142.93 131.47 22.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 3.9 m-20 -96.03 161.32 14.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.755 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.9 t -139.82 113.71 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.549 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.17 101.0 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.264 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.2 ttt -121.79 150.66 41.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.604 ' HA ' HD13 ' A' ' 15' ' ' LEU . 3.7 mt-10 -69.9 99.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.716 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.499 HG22 HD12 ' A' ' 72' ' ' ILE . 45.6 t -87.36 136.89 22.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 45.5 t -107.7 -31.31 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.97 -172.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.873 ' HB3' HG21 ' A' ' 10' ' ' ILE . 14.7 pt-20 -57.3 -32.16 66.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.024 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.2 m -56.33 -52.96 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.78 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.596 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -64.09 -51.76 62.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.312 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -42.36 -37.29 1.51 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.542 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -29.92 57.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -82.41 -33.93 28.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 68' ' ' GLU . 5.5 mt -71.32 -27.22 28.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.271 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.458 ' CZ ' ' CD1' ' A' ' 18' ' ' TYR . 2.7 m-85 -80.22 -46.24 16.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.477 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 15.4 pt20 -70.42 -29.47 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.236 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -75.21 -39.57 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 73' ' ' PHE . 4.7 tp -71.72 -32.88 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.7 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.423 ' CB ' HG21 ' A' ' 82' ' ' VAL . 17.3 m -100.36 23.91 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.929 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -65.74 -30.96 71.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.14 -176.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.24 30.81 7.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.701 ' HD2' HG21 ' A' ' 24' ' ' THR . 34.0 mmtm -109.27 -52.56 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.567 HG12 ' HG3' ' A' ' 22' ' ' MET . 28.0 m -49.4 125.52 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.412 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.65 HG21 ' OG1' ' A' ' 23' ' ' THR . 81.3 t -120.64 -35.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.92 110.44 19.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.018 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.76 HG22 HG13 ' A' ' 20' ' ' VAL . 23.5 p -122.32 156.42 33.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.524 -0.053 0 CA-C-O 120.818 0.342 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 62.3 Cg_endo -89.93 68.94 1.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.715 2.277 . . . . 0.0 112.449 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.86 178.89 7.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.093 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 61' ' ' MET . 6.2 tp -74.6 124.52 26.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.499 ' CD1' ' CZ ' ' A' ' 18' ' ' TYR . 3.2 t-105 -108.38 141.2 40.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -112.47 128.34 56.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.546 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CZ ' ' CD1' ' A' ' 16' ' ' TRP . 54.9 m-85 -122.32 123.54 41.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.178 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.575 ' HG3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -82.67 99.77 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.299 179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.872 ' C ' HD13 ' A' ' 21' ' ' ILE . 26.0 t -111.02 122.99 66.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.407 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.872 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.3 mm -115.28 143.97 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.551 ' CG ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.76 150.02 41.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.691 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.708 ' OG1' HG21 ' A' ' 83' ' ' VAL . 11.9 p -125.94 69.68 1.2 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.727 HG21 ' HD3' ' A' ' 81' ' ' LYS . 1.2 m -149.45 154.34 38.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.04 29.01 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -145.76 33.94 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -77.02 -4.97 46.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.411 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -51.99 -29.83 22.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.79 0.329 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -71.9 -30.15 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.745 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.43 -46.08 16.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.698 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -58.16 -22.11 49.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -90.3 -30.04 17.73 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.645 ' O ' HG22 ' A' ' 36' ' ' THR . 1.4 pp -87.37 -30.65 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.3 mt -77.3 -25.37 51.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.799 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -5.31 59.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.588 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 33' ' ' LEU . 12.8 t -56.22 -36.93 69.0 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.851 0.358 . . . . 0.0 110.964 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 60.06 45.15 12.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' H ' HG23 ' A' ' 36' ' ' THR . 7.5 mm-40 -59.38 -57.6 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -106.09 170.67 5.56 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 38.6 Cg_exo -61.29 74.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.562 2.174 . . . . 0.0 112.593 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' ARG . 16.4 p90 -140.11 154.03 46.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -140.12 166.9 23.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mp -138.91 132.32 30.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.38 97.97 9.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.613 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -59.56 128.18 35.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HG3' ' HB3' ' A' ' 56' ' ' SER . 13.0 mmtp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -80.45 109.11 14.64 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.313 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.64 ' HA ' HD12 ' A' ' 21' ' ' ILE . 68.8 m -95.65 133.83 39.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.377 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -148.41 136.9 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -97.09 161.94 13.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.725 0.298 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.438 HG12 ' SD ' ' A' ' 61' ' ' MET . 14.9 t -137.59 110.32 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.565 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.13 115.19 27.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.281 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.802 ' HG3' HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -146.05 162.2 38.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.953 0.406 . . . . 0.0 111.343 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.96 125.4 26.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.297 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 94.7 t -123.61 141.45 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.448 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.1 t -111.47 -29.81 7.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -177.44 -175.02 0.52 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.08 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -32.79 39.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -54.48 19.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.981 0.42 . . . . 0.0 110.561 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.572 ' O ' HG13 ' A' ' 72' ' ' ILE . 3.6 mt-10 -67.98 -52.61 33.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.147 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -30.36 1.24 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.71 -30.44 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.734 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' GLU . 4.0 tp10 -84.5 -34.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.802 HD13 ' HG3' ' A' ' 61' ' ' MET . 5.7 mt -71.72 -28.87 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -76.63 -36.2 57.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -80.06 -27.04 39.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -75.56 -40.1 57.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.015 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.8 tp -72.8 -31.54 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.03 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.0 t -100.49 26.24 6.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -52.94 62.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.28 -175.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -119.08 31.39 6.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.727 ' HD3' HG21 ' A' ' 24' ' ' THR . 18.8 mmtp -101.15 -56.49 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.762 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.551 HG12 ' CG ' ' A' ' 22' ' ' MET . 35.4 m -47.38 137.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.488 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.708 HG21 ' OG1' ' A' ' 23' ' ' THR . 69.5 t -123.25 -44.66 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.84 131.61 52.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.543 HG22 HG13 ' A' ' 20' ' ' VAL . 63.8 p -134.69 152.84 52.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.7 p90 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.756 0.313 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 60.9 Cg_endo -89.91 67.42 2.02 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.72 2.28 . . . . 0.0 112.223 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.2 p -139.63 170.05 16.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.59 112.01 17.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -106.95 141.32 38.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.02 145.45 24.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.714 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.402 ' CE2' HG21 ' A' ' 72' ' ' ILE . 85.2 m-85 -125.31 106.16 9.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.462 ' HD3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -75.77 100.01 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.465 179.774 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.784 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.4 t -117.81 127.69 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.44 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.784 HD13 ' C ' ' A' ' 20' ' ' VAL . 2.2 mm -117.66 137.41 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.887 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.8 mtt -114.65 144.5 43.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 111.012 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.535 ' OG1' HG21 ' A' ' 83' ' ' VAL . 8.1 p -122.65 69.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.389 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.698 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -149.96 149.18 30.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.031 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 0.16 55.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.352 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.09 37.79 3.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.884 0.373 . . . . 0.0 110.811 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 p -77.21 -4.94 47.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.403 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.34 -30.15 4.64 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 30' ' ' LEU . 9.3 t -72.71 -45.77 57.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.562 HD23 ' SD ' ' A' ' 22' ' ' MET . 13.5 tp -75.18 -29.88 60.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.83 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -33.4 67.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -87.25 -28.62 22.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.855 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 36' ' ' THR . 0.2 OUTLIER -71.08 -28.33 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.4 mt -89.87 -32.02 17.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.27 -8.06 59.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.479 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 33' ' ' LEU . 9.8 t -60.06 -40.79 90.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.439 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 13.7 m-85 58.64 44.93 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.11 -44.33 95.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 6.6 ptp85 -111.2 168.44 7.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.529 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 23.5 Cg_exo -65.11 65.0 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.681 2.254 . . . . 0.0 112.623 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 37' ' ' TYR . 17.6 p90 -128.78 141.92 51.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.772 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -120.42 167.19 12.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.07 137.56 34.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.046 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -104.63 92.07 4.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.475 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -59.67 114.4 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.961 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.814 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.437 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 3.5 m-85 -112.43 109.45 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.736 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.707 ' CB ' HD12 ' A' ' 21' ' ' ILE . 71.0 m -82.61 142.28 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 55' ' ' TYR . 94.6 m-85 -149.88 135.17 18.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.29 159.24 15.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.602 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.819 HG21 HD13 ' A' ' 76' ' ' ILE . 9.2 t -135.94 112.47 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.349 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.95 105.93 16.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.653 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.1 tpt -129.02 150.94 50.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.896 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -77.43 99.73 5.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.785 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.514 HG22 HD12 ' A' ' 72' ' ' ILE . 47.3 t -84.3 141.83 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 1.3 m -113.65 -31.39 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -177.32 -175.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -28.18 27.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.019 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -61.8 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.759 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.533 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.0 mt-10 -62.77 -50.7 70.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.414 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 ttt-85 -42.62 -42.27 3.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.426 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.07 -34.99 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -76.64 -40.92 47.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.842 179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 68' ' ' GLU . 2.9 mt -62.8 -28.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -78.35 -52.63 8.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -67.25 -26.87 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -69.02 -45.85 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.819 HD13 HG21 ' A' ' 59' ' ' VAL . 2.8 tp -72.33 -34.39 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.5 m -97.84 28.52 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -54.42 47.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.3 -175.68 3.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.02 28.03 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.698 ' HD3' HG21 ' A' ' 24' ' ' THR . 9.7 mmtm -90.45 -63.98 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.887 HG12 ' HG2' ' A' ' 22' ' ' MET . 35.1 m -43.74 144.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.626 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.535 HG21 ' OG1' ' A' ' 23' ' ' THR . 60.6 t -118.55 -50.55 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -104.8 109.97 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.5 t -128.03 122.27 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.876 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.405 ' HE1' HG11 ' A' ' 63' ' ' VAL . 3.7 p90 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.762 0.315 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 59.3 Cg_endo -91.24 68.18 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.759 2.306 . . . . 0.0 112.559 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.23 178.99 9.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.716 HD22 ' HA ' ' A' ' 62' ' ' GLU . 1.2 mm? -69.84 111.54 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -103.79 136.12 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.26 141.35 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.759 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -126.6 108.94 11.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -77.77 99.94 6.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.712 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.4 t -115.81 118.51 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.355 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -113.44 136.36 50.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.973 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.481 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -113.53 145.54 41.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.667 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.714 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.2 p -123.1 69.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.122 0.487 . . . . 0.0 110.708 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.49 167.83 21.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.44 -12.53 17.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.249 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -109.87 41.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 p -78.07 -4.84 49.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.293 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -50.08 -36.97 31.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.921 0.391 . . . . 0.0 111.036 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -70.7 -28.11 64.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.683 HD12 ' HG3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -78.09 -36.46 48.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -62.83 -31.49 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.76 -28.93 30.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.94 -36.9 67.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.656 HD22 HD21 ' A' ' 43' ' ' LEU . 3.1 mt -77.54 -30.49 52.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.31 -4.91 53.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.381 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -53.18 -47.28 68.96 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.822 0.344 . . . . 0.0 111.223 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 62.36 33.76 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -62.26 -45.97 90.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -109.14 167.69 8.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.511 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 42.7 Cg_endo -67.77 63.89 0.89 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.562 2.175 . . . . 0.0 112.387 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -129.59 147.47 51.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.97 167.72 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.778 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.656 HD21 HD22 ' A' ' 34' ' ' LEU . 2.8 mp -140.13 133.12 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 4.9 mt-10 -97.53 95.07 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -59.79 118.43 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.001 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.733 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 5.1 m-85 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.906 0.384 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -97.23 109.26 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.421 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.756 ' HA ' HD12 ' A' ' 21' ' ' ILE . 58.7 m -89.52 131.87 35.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.461 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 56' ' ' SER . 36.0 m-85 -147.86 131.8 17.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.476 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 1.2 t-20 -97.04 164.43 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.15 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 76' ' ' ILE . 6.6 t -138.68 115.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.232 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -109.57 102.46 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.672 ' C ' HD13 ' A' ' 15' ' ' LEU . 9.2 tpt -127.16 147.2 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.685 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.716 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.9 tt0 -69.85 99.92 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.555 HG22 HD12 ' A' ' 72' ' ' ILE . 50.6 t -91.84 144.19 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -114.58 -25.42 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.67 -177.88 0.84 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.774 0.321 . . . . 0.0 111.005 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -54.5 -35.69 63.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.8 t -50.49 -52.91 34.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.027 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.526 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.6 mt-10 -64.88 -53.92 39.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.25 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -44.32 -38.93 4.21 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.263 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -67.97 -34.36 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.589 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' GLU . 22.2 tt0 -81.64 -35.23 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.555 HD12 HG22 ' A' ' 63' ' ' VAL . 3.5 mt -69.3 -29.31 41.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.004 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -75.91 -44.31 40.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.14 -28.26 67.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -74.16 -51.01 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.65 HG12 HG21 ' A' ' 20' ' ' VAL . 6.2 tp -66.28 -28.12 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.069 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.6 t -99.53 22.15 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -59.07 -54.43 47.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 79' ' ' LEU . 4.3 mm? -62.31 176.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.27 30.51 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.683 ' HG3' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -98.66 -45.55 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.733 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 28.8 m -51.33 126.11 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.36 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.714 HG21 ' OG1' ' A' ' 23' ' ' THR . 67.2 t -121.71 -35.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -127.59 117.8 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.3 t -127.8 172.05 11.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.782 0.325 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.7 Cg_endo -89.48 68.57 2.21 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.623 2.215 . . . . 0.0 112.447 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.98 169.57 17.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.768 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' C ' ' A' ' 61' ' ' MET . 0.9 OUTLIER -76.68 119.2 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -114.24 135.95 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -91.55 145.94 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -124.97 104.83 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.748 ' HD3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -74.65 99.89 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.64 179.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.83 ' C ' HD13 ' A' ' 21' ' ' ILE . 20.9 t -117.74 123.19 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.499 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.83 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.6 mm -114.59 140.92 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.778 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.695 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -122.46 152.16 40.56 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.96 0.41 . . . . 0.0 110.794 -179.811 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.636 HG22 ' HB ' ' A' ' 83' ' ' VAL . 2.8 t -129.46 69.59 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.535 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.599 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -144.81 158.32 43.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.073 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 -3.07 33.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.334 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.01 36.06 3.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.1 p -77.51 -4.9 47.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.463 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.407 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 6.9 p -51.87 -25.9 8.95 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.768 0.318 . . . . 0.0 111.247 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.803 ' O ' HD12 ' A' ' 33' ' ' LEU . 4.7 t -81.93 -34.48 29.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.997 0.427 . . . . 0.0 110.506 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' HG ' HD11 ' A' ' 34' ' ' LEU . 25.6 tp -79.93 -37.79 33.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.938 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -62.34 -29.09 70.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -83.85 -31.0 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 29' ' ' THR . 1.4 mt -72.15 -29.07 63.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.039 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.492 HD11 ' HG ' ' A' ' 30' ' ' LEU . 9.6 mt -90.16 -32.46 16.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -75.72 -24.69 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.257 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 33' ' ' LEU . 10.6 t -56.77 -35.91 69.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 59.17 47.87 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.89 -60.93 3.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HG3' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -93.27 164.8 20.06 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.34 79.55 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.659 2.239 . . . . 0.0 112.586 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 39' ' ' ARG . 46.0 p90 -140.08 168.83 18.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.774 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -140.11 166.81 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.739 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.22 130.45 25.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 2.5 mt-10 -98.26 94.91 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.552 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -59.7 115.14 3.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.792 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.757 179.864 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.848 0.356 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -88.55 109.17 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.477 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.644 ' HA ' HD12 ' A' ' 21' ' ' ILE . 69.7 m -98.11 130.98 44.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.217 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -149.11 130.43 14.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.705 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 1.3 t-20 -91.36 164.93 13.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 76' ' ' ILE . 9.5 t -139.33 111.85 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.416 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.61 105.08 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.758 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.511 ' C ' HD23 ' A' ' 15' ' ' LEU . 14.4 tpt -123.8 153.52 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.67 99.9 4.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.577 HG22 HD12 ' A' ' 72' ' ' ILE . 47.2 t -88.23 137.04 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 6.0 m -113.4 -28.33 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.06 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.15 -166.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.056 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.69 -30.61 69.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.4 m -55.28 -50.82 68.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.754 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.608 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -68.09 -54.9 14.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.0 ttt85 -43.41 -35.33 1.54 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.456 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -77.09 -29.48 54.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.642 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' GLU . 20.7 tt0 -82.9 -34.67 26.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 68' ' ' GLU . 6.5 mt -69.68 -28.34 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.068 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -81.41 -45.99 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.231 -179.715 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -67.19 -40.22 86.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 111.022 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.62 -50.3 73.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.521 HD13 HG21 ' A' ' 59' ' ' VAL . 5.5 tp -63.11 -35.77 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.025 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -99.21 26.62 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -40.63 90.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 173.14 8.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -105.96 29.8 6.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.046 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.599 ' HD3' HG21 ' A' ' 24' ' ' THR . 16.7 mmtt -98.35 -56.46 2.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.655 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.695 HG12 ' HG3' ' A' ' 22' ' ' MET . 29.4 m -46.77 133.42 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.414 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.636 ' HB ' HG22 ' A' ' 23' ' ' THR . 66.7 t -127.47 -38.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.136 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.92 107.15 16.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -110.39 169.46 8.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 86' ' ' LEU . 7.1 tt . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 91.3 Cg_endo -83.73 68.73 6.85 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.312 2.008 . . . . 0.0 112.139 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -139.28 170.87 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.309 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.555 HD13 ' C ' ' A' ' 61' ' ' MET . 4.1 mm? -77.3 115.57 17.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -111.27 141.29 44.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -97.65 146.8 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.756 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -129.42 107.05 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.744 ' HD3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -78.33 99.91 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.726 HG21 HG12 ' A' ' 76' ' ' ILE . 18.9 t -112.27 120.13 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 56' ' ' SER . 1.8 mm -109.89 134.33 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.153 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.483 ' HG2' HG12 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -112.18 145.85 39.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.761 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.1 p -120.53 69.95 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.657 HG21 ' HD3' ' A' ' 81' ' ' LYS . 1.4 m -144.29 165.24 28.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -102.2 -10.1 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.08 44.13 1.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.002 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.7 p -78.49 -4.97 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 m -50.58 -29.41 10.74 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.763 0.316 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 t -71.42 -30.06 65.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -80.42 -46.15 16.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -58.52 -30.62 67.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -83.12 -27.54 30.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.82 -35.87 22.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 30' ' ' LEU . 10.1 mt -74.93 -29.06 60.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.35 -5.05 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.547 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.4 p -57.4 -46.62 83.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.751 0.31 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.43 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 4.9 m-85 60.3 35.79 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -62.91 -22.5 66.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.411 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -127.96 165.23 31.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.0 71.81 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.557 2.172 . . . . 0.0 112.623 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 37' ' ' TYR . 27.5 p90 -140.1 157.09 46.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.724 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -136.68 165.7 25.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -140.05 131.06 26.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.0 OUTLIER -99.65 94.53 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.957 0.408 . . . . 0.0 110.513 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -59.62 118.25 5.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.874 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 6.5 m-85 -98.14 109.3 22.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.542 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.789 ' HA ' HD12 ' A' ' 21' ' ' ILE . 19.4 m -88.43 126.75 35.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.215 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 55' ' ' TYR . 68.1 m-85 -136.46 137.69 40.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.785 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.432 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 3.1 m-20 -103.76 160.22 14.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.439 HG21 HD13 ' A' ' 76' ' ' ILE . 5.6 t -139.5 113.47 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.376 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.34 101.6 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.759 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.555 ' C ' HD13 ' A' ' 15' ' ' LEU . 13.1 tpt -124.27 154.57 40.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.538 ' HG2' HD21 ' A' ' 15' ' ' LEU . 20.6 mt-10 -76.89 105.9 8.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.58 HG22 HD12 ' A' ' 72' ' ' ILE . 66.9 t -92.98 138.8 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 45.8 m -112.48 -29.14 7.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.82 -172.8 0.55 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -31.71 63.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -54.47 -53.43 54.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.542 ' O ' HG13 ' A' ' 72' ' ' ILE . 9.3 mm-40 -63.56 -51.8 63.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.438 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -45.12 -30.17 1.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.322 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -79.04 -33.09 45.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.694 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.3 tt0 -81.88 -37.85 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.624 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.58 HD12 HG22 ' A' ' 63' ' ' VAL . 4.0 mt -68.88 -28.58 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.454 ' CZ ' HG21 ' A' ' 85' ' ' THR . 16.2 t80 -78.59 -49.4 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -70.5 -29.68 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -48.5 70.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.168 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.726 HG12 HG21 ' A' ' 20' ' ' VAL . 7.0 tp -67.79 -31.14 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.096 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 p -97.02 24.04 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.486 ' OE1' HD12 ' A' ' 79' ' ' LEU . 7.1 tm0? -58.34 -42.8 87.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.486 HD12 ' OE1' ' A' ' 78' ' ' GLN . 6.3 mp -79.82 -178.98 6.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -110.24 29.64 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.657 ' HD3' HG21 ' A' ' 24' ' ' THR . 5.3 mmpt? -96.87 -55.25 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.483 HG12 ' HG2' ' A' ' 22' ' ' MET . 35.4 m -46.12 132.7 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.437 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.761 HG21 ' OG1' ' A' ' 23' ' ' THR . 59.0 t -120.17 -42.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.928 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.04 131.18 56.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.688 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.454 HG21 ' CZ ' ' A' ' 73' ' ' PHE . 8.4 t -132.23 148.3 52.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.413 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.837 0.351 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 92.3 Cg_endo -84.4 68.85 6.33 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.214 1.943 . . . . 0.0 112.147 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.7 p -138.29 169.1 18.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.02 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 62' ' ' GLU . 2.9 mm? -79.12 118.29 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.731 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -118.42 136.98 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -92.32 151.35 20.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.648 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -127.93 107.4 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.068 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 100.04 5.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.909 HG13 HG22 ' A' ' 85' ' ' THR . 21.5 t -114.06 124.32 70.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.47 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.3 mm -111.71 128.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.701 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.845 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.8 mtm -110.79 138.9 46.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.632 HG22 ' HB3' ' A' ' 54' ' ' PHE . 7.7 p -118.21 69.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.586 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.638 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -144.44 153.88 42.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.15 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -99.3 28.19 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -144.61 39.99 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.764 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 p -77.02 -4.8 46.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.531 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -51.01 -26.82 6.61 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.831 0.348 . . . . 0.0 111.017 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 t -77.28 -27.92 53.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.514 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.71 HD13 ' SD ' ' A' ' 22' ' ' MET . 0.2 OUTLIER -83.78 -47.95 10.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -52.73 -27.5 17.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.109 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -89.2 -32.78 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.765 ' O ' HG22 ' A' ' 36' ' ' THR . 3.3 mp -78.05 -28.7 48.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.971 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 43' ' ' LEU . 43.3 mt -84.87 -28.09 26.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -88.08 -18.47 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.36 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 33' ' ' LEU . 13.0 t -51.76 -30.3 22.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.782 0.325 . . . . 0.0 111.031 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 62.21 41.95 10.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' H ' HG23 ' A' ' 36' ' ' THR . 8.8 mm-40 -59.52 -49.87 76.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -112.58 170.64 5.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.686 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.44 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 11.9 Cg_exo -71.09 60.29 2.38 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.716 2.277 . . . . 0.0 112.537 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HE2' HD11 ' A' ' 43' ' ' LEU . 2.7 p90 -126.66 141.74 51.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.983 0.421 . . . . 0.0 110.851 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 3.3 tppt? -115.95 157.52 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.643 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.518 HD13 ' HB3' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -129.91 127.44 40.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.42 90.96 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.654 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.72 109.98 1.04 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.97 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.632 ' HB3' HG22 ' A' ' 23' ' ' THR . 6.6 p90 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 120.797 0.332 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.85 109.29 22.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.761 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 18.4 m -72.27 132.49 44.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.478 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -142.77 142.88 32.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.1 161.44 14.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.406 HG21 ' CD1' ' A' ' 76' ' ' ILE . 7.5 t -143.01 109.97 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.323 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -104.42 114.29 28.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.513 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.601 ' C ' HD13 ' A' ' 15' ' ' LEU . 9.5 tpt -134.29 152.75 51.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.007 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.608 ' HA ' HD22 ' A' ' 15' ' ' LEU . 1.7 tt0 -70.0 100.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.589 HG22 HD12 ' A' ' 72' ' ' ILE . 57.8 t -89.9 138.88 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -107.31 -31.15 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.817 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.74 -177.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -30.47 22.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -55.0 -53.83 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.74 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -65.9 -51.05 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.453 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -43.82 -31.85 0.93 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.65 -33.01 41.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.788 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' GLU . 9.6 tt0 -80.67 -37.81 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.589 HD12 HG22 ' A' ' 63' ' ' VAL . 3.9 mt -68.74 -29.16 42.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.07 -47.97 19.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.246 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -71.95 -30.84 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -68.67 -42.07 78.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.077 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.406 ' CD1' HG21 ' A' ' 59' ' ' VAL . 5.0 tp -72.48 -34.39 48.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 m -97.76 28.15 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -51.94 67.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.93 -176.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.97 30.85 6.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.638 ' HD3' HG21 ' A' ' 24' ' ' THR . 5.0 mmtm -96.68 -52.55 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.845 HG12 ' HG2' ' A' ' 22' ' ' MET . 29.5 m -50.37 140.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.502 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.507 HG21 ' OG1' ' A' ' 23' ' ' THR . 67.5 t -130.9 -42.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.009 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -113.62 106.4 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.909 HG22 HG13 ' A' ' 20' ' ' VAL . 38.1 p -109.88 148.96 30.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.2 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.919 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 CA--C 1.524 -0.042 0 CA-C-O 120.842 0.353 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.9 Cg_endo -88.28 69.1 3.02 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.557 2.171 . . . . 0.0 112.214 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 p -133.58 -171.99 2.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.865 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 62' ' ' GLU . 4.5 mm? -99.24 107.09 19.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -107.12 148.9 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -101.38 162.02 13.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.443 ' CE2' HG21 ' A' ' 72' ' ' ILE . 93.1 m-85 -134.47 104.72 6.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -80.14 99.81 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.675 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.623 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.4 t -117.46 126.48 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.402 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.5 mm -112.85 129.93 67.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.468 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 1.2 mtt -115.19 143.58 45.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.741 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.772 ' OG1' HG21 ' A' ' 83' ' ' VAL . 6.1 p -120.81 69.84 0.89 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.669 HG21 ' HE3' ' A' ' 81' ' ' LYS . 1.5 m -138.42 149.22 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -96.65 22.94 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -137.68 41.23 2.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.977 0.418 . . . . 0.0 110.472 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -71.53 -8.71 55.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.485 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.432 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 33.1 t -50.18 -33.15 18.25 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -76.6 -28.66 56.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.345 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.563 HD21 HD11 ' A' ' 34' ' ' LEU . 2.7 tp -80.78 -41.94 22.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.76 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 6.4 ptpt -60.3 -21.87 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.23 -33.46 16.16 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.386 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.558 ' C ' HD12 ' A' ' 33' ' ' LEU . 2.2 pp -81.58 -23.04 37.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.228 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.563 HD11 HD21 ' A' ' 30' ' ' LEU . 95.4 mt -81.77 -28.56 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -89.93 -4.77 57.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.431 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 38' ' ' GLN . 12.1 t -47.08 -33.55 5.06 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.752 0.31 . . . . 0.0 111.246 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.24 39.34 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.535 ' H ' HG23 ' A' ' 36' ' ' THR . 4.3 mm-40 -60.97 -55.57 31.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 1.4 ptt85 -112.11 166.88 10.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.649 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 35.2 Cg_endo -65.08 75.1 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.443 2.096 . . . . 0.0 112.391 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -139.18 162.7 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.05 162.75 34.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.763 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -134.27 128.45 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.05 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -96.99 93.6 6.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.76 109.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.807 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.901 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CD2' ' CG2' ' A' ' 23' ' ' THR . 2.3 m-85 . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.897 0.38 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -96.05 109.38 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 70.6 m -77.69 134.68 38.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.473 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -141.96 138.68 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.706 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -108.77 157.6 18.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -138.78 114.89 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 112.83 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.7 tpt -137.37 145.4 43.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.655 ' HA ' HD13 ' A' ' 15' ' ' LEU . 11.8 tt0 -69.97 103.84 2.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 92.1 t -89.66 141.78 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.5 m -110.66 -31.24 7.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.775 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.39 179.86 4.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -30.94 63.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -53.8 28.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -67.15 -50.86 59.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -41.86 -38.88 1.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.531 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -74.58 -34.06 62.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.684 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.3 tt0 -76.35 -41.25 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.016 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.0 mt -63.6 -28.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.054 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.416 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -80.47 -51.28 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.167 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -27.09 68.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -74.74 -44.14 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 73' ' ' PHE . 5.8 tp -71.04 -35.43 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.436 ' HB3' HG21 ' A' ' 82' ' ' VAL . 19.1 m -100.22 26.89 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -53.3 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.443 HD12 HD21 ' A' ' 33' ' ' LEU . 4.2 mt -60.84 -179.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.02 31.42 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.669 ' HE3' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -93.76 -47.13 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.8 m -53.38 141.89 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.391 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.772 HG21 ' OG1' ' A' ' 23' ' ' THR . 98.1 t -127.3 -46.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -121.05 106.77 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 p -87.92 154.24 20.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.723 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.966 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.753 0.311 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 57.8 Cg_endo -91.67 68.41 1.03 Allowed 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.826 2.351 . . . . 0.0 112.539 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.6 169.0 18.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 61' ' ' MET . 4.0 mm? -70.24 108.85 4.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -106.06 137.4 44.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.91 150.31 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -129.13 110.01 11.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -76.35 101.97 5.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.685 ' C ' HD13 ' A' ' 21' ' ' ILE . 17.0 t -123.72 124.89 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.377 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.5 mm -113.89 140.38 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.566 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -115.56 148.32 39.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.52 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.522 HG22 ' HB ' ' A' ' 83' ' ' VAL . 1.4 t -126.39 69.47 1.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.669 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.643 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -140.35 149.3 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.062 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -15.06 40.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.289 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' O ' HG22 ' A' ' 29' ' ' THR . 31.7 t70 -109.66 45.0 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 24' ' ' THR . 72.5 p -77.82 -4.91 48.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.37 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -52.53 -30.65 31.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 26' ' ' ASP . 2.2 t -71.11 -27.21 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.813 HD12 ' HG3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -80.29 -44.41 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -56.39 -30.62 62.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -85.35 -28.2 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD22 HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -81.03 -38.55 27.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.651 HD11 HD22 ' A' ' 30' ' ' LEU . 16.5 mt -71.93 -30.6 65.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.26 -13.14 60.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.391 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.4 p -55.78 -44.47 77.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 58.8 38.93 24.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.25 -31.51 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.19 167.57 12.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.88 65.35 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.427 2.084 . . . . 0.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -134.17 152.87 52.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -132.24 169.31 16.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.79 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mp -139.94 129.58 24.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.4 94.91 6.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.53 109.91 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.578 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.172 -179.705 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.874 0.368 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -87.16 109.2 19.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.709 ' HA ' HD12 ' A' ' 21' ' ' ILE . 23.7 m -90.0 127.91 36.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.008 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -143.46 126.29 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -88.98 162.0 16.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.746 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 t -138.52 110.78 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.456 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -103.45 99.95 9.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.518 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.589 ' C ' HD13 ' A' ' 15' ' ' LEU . 11.9 ttt -120.27 152.56 37.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.71 99.91 2.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.568 HG22 HD12 ' A' ' 72' ' ' ILE . 60.7 t -91.86 138.66 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 23.6 t -109.22 -28.02 9.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.787 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.48 -171.07 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.0 -37.69 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.4 m -49.46 -55.14 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.276 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.534 ' O ' HG13 ' A' ' 72' ' ' ILE . 4.9 mm-40 -62.05 -52.53 63.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.5 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -41.76 -50.21 4.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.548 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -61.2 -32.48 72.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.391 . . . . 0.0 110.654 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.5 tt0 -78.61 -41.3 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.834 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.568 HD12 HG22 ' A' ' 63' ' ' VAL . 3.0 mt -65.05 -25.7 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.426 ' CZ ' ' HB ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -77.3 -39.19 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.196 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.15 -36.61 47.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.068 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -62.13 -49.07 77.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.067 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 tp -66.8 -31.07 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.694 ' HA ' HG21 ' A' ' 82' ' ' VAL . 31.2 t -97.25 23.78 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -51.7 68.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.547 HD11 HD22 ' A' ' 33' ' ' LEU . 2.0 mp -59.58 -178.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -110.63 30.86 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.813 ' HG3' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -102.05 -61.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.792 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.694 HG21 ' HA ' ' A' ' 77' ' ' SER . 18.7 m -46.34 133.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.547 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.522 ' HB ' HG22 ' A' ' 23' ' ' THR . 76.3 t -128.48 -37.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -93.92 130.9 39.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 73' ' ' PHE . 72.9 p -132.52 118.02 18.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.783 0.325 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.503 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.8 Cg_endo -88.01 68.25 3.33 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.56 2.173 . . . . 0.0 112.449 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.03 168.45 21.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD12 ' C ' ' A' ' 61' ' ' MET . 4.0 tp -69.91 120.98 16.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -114.86 138.99 50.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -93.37 148.99 21.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.76 110.86 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.482 HH11 HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -80.64 99.82 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.595 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.84 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.6 t -117.19 124.12 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.373 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.84 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.5 mm -115.4 131.07 68.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.092 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.467 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -111.84 145.41 39.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.759 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.723 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.4 p -120.72 69.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.076 0.465 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -144.16 150.26 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 26.74 4.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.033 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -139.43 37.61 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p -74.52 -6.65 49.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.566 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 23.1 m -52.68 -25.8 11.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.828 0.346 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.867 ' O ' HD12 ' A' ' 33' ' ' LEU . 8.9 t -83.68 -33.55 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.352 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.822 HD13 ' HG ' ' A' ' 79' ' ' LEU . 57.6 tp -80.43 -34.69 35.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -65.4 -29.92 70.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.85 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -84.14 -28.58 27.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.853 179.759 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -76.66 -28.84 56.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -86.35 -29.11 23.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.17 -8.88 59.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.565 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 33' ' ' LEU . 9.0 t -58.07 -38.91 77.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.427 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 8.2 m-85 57.79 45.2 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -62.1 -42.15 98.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.751 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 15.2 ptp180 -119.73 167.17 12.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.579 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 32.9 Cg_exo -60.34 75.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.674 2.249 . . . . 0.0 112.572 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CE2' ' HA ' ' A' ' 37' ' ' TYR . 13.3 p90 -140.06 147.14 39.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.638 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -131.34 164.02 26.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.405 ' HG ' ' HA ' ' A' ' 59' ' ' VAL . 2.4 mp -140.31 129.94 24.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 2.0 mt-10 -97.57 94.19 6.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.0 0.428 . . . . 0.0 110.387 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -59.47 111.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.925 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 120.994 0.426 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -105.21 109.08 20.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.426 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.728 ' HA ' HD12 ' A' ' 21' ' ' ILE . 48.5 t -91.38 122.77 34.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.173 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -138.24 128.84 26.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 2.4 m-20 -89.53 160.75 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 76' ' ' ILE . 3.7 t -141.05 116.19 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 111.67 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.518 ' HB3' HD11 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -109.59 125.22 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.372 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.522 ' C ' HD12 ' A' ' 15' ' ' LEU . 7.7 tpt -146.39 150.5 35.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.892 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -72.68 99.99 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.463 HG22 HD12 ' A' ' 72' ' ' ILE . 64.5 t -91.56 141.15 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.0 t -113.42 -29.9 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.049 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.41 -176.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.157 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -29.97 50.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.41 -51.53 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.807 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' HG13 ' A' ' 72' ' ' ILE . 12.1 mm-40 -65.86 -49.96 66.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.469 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.82 -30.29 0.95 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.372 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -83.39 -30.26 27.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' GLU . 4.8 tt0 -83.09 -36.77 24.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.636 ' O ' HG22 ' A' ' 76' ' ' ILE . 4.2 mt -72.51 -30.87 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -76.87 -43.55 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -70.05 -36.88 75.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -61.04 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 72' ' ' ILE . 5.2 tp -56.43 -32.06 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.66 22.35 13.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.775 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -32.0 63.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 0.0 110.752 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.822 ' HG ' HD13 ' A' ' 30' ' ' LEU . 4.0 mm? -63.27 -175.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.27 20.92 11.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -36.2 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.746 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.467 HG12 ' HG3' ' A' ' 22' ' ' MET . 19.1 m -56.45 132.85 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.723 HG21 ' OG1' ' A' ' 23' ' ' THR . 77.1 t -122.42 -40.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -115.02 133.9 55.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -141.11 139.17 33.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.5 tp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.002 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 94.0 Cg_endo -82.76 62.59 7.83 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.341 2.027 . . . . 0.0 112.162 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.45 173.95 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.146 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 122.32 24.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -119.81 141.46 49.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.8 153.43 21.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -131.12 104.45 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.092 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -72.42 103.28 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.621 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.817 ' C ' HD13 ' A' ' 21' ' ' ILE . 16.1 t -121.91 125.81 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.455 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.817 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.5 mm -114.91 137.94 46.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.619 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -117.07 145.44 43.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.926 0.393 . . . . 0.0 110.761 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.651 ' OG1' HG21 ' A' ' 83' ' ' VAL . 9.6 p -124.57 69.59 1.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.624 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.656 HG21 ' CE ' ' A' ' 81' ' ' LYS . 2.6 m -130.34 154.87 47.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -98.98 28.62 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.834 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -162.09 47.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.728 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -74.31 -7.15 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.426 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.2 p -49.06 -29.43 5.08 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -76.86 -40.94 45.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' HG ' HD11 ' A' ' 34' ' ' LEU . 43.7 tp -75.26 -31.64 60.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.811 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -61.97 -39.08 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -75.98 -29.31 58.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.748 ' O ' HG22 ' A' ' 36' ' ' THR . 2.0 mm? -71.1 -29.23 65.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD11 ' HG ' ' A' ' 30' ' ' LEU . 7.9 mt -90.0 -32.12 16.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.87 -5.21 55.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.507 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 33' ' ' LEU . 11.2 t -73.83 -32.55 63.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.756 0.312 . . . . 0.0 111.01 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 60.73 46.77 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -58.46 -30.08 66.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 3.7 ptp85 -131.13 170.57 10.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.737 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.449 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 16.6 Cg_exo -68.2 62.28 1.04 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.647 2.231 . . . . 0.0 112.625 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.557 ' HE2' HD11 ' A' ' 43' ' ' LEU . 6.7 p90 -132.33 141.58 49.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.889 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.82 169.86 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.557 HD11 ' HE2' ' A' ' 41' ' ' PHE . 2.1 mp -140.13 129.28 23.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 6.8 mt-10 -97.65 93.42 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.49 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.6 m-30 -59.85 123.7 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -97.09 109.38 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.751 ' HA ' HD12 ' A' ' 21' ' ' ILE . 45.1 m -96.65 120.21 36.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.96 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -137.3 140.04 41.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.401 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -99.67 162.73 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.673 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -139.15 113.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.408 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.86 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.4 ttt -139.23 153.94 47.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.91 124.04 23.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.935 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 58.5 t -114.27 138.57 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.96 0.41 . . . . 0.0 111.222 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -107.39 -30.27 8.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.59 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.15 -176.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.791 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.5 -28.6 13.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.189 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -57.27 12.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.559 ' O ' HG13 ' A' ' 72' ' ' ILE . 6.0 mm-40 -65.27 -50.8 64.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -40.8 3.17 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.483 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -71.92 -31.42 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.6 tt0 -80.3 -35.82 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.016 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.8 mt -68.66 -28.75 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.724 0.297 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -80.86 -48.64 12.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.315 -179.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -35.64 80.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.123 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -67.52 -48.87 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 73' ' ' PHE . 4.5 tp -64.18 -31.85 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -99.17 24.05 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -65.49 -43.67 89.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.4 -179.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -111.15 31.98 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.656 ' CE ' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER -101.43 -54.96 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.79 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.619 HG12 ' HG3' ' A' ' 22' ' ' MET . 19.8 m -49.88 125.88 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.419 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.651 HG21 ' OG1' ' A' ' 23' ' ' THR . 65.3 t -120.4 -36.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.202 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -118.81 106.05 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.734 HG22 HG13 ' A' ' 20' ' ' VAL . 29.9 p -115.43 151.25 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.833 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.907 0.384 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 59.7 Cg_endo -91.11 68.2 1.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.898 2.399 . . . . 0.0 112.439 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.5 m -149.04 173.83 12.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -70.73 115.07 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -111.1 126.91 55.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -83.63 149.61 26.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.607 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.406 ' OH ' HG21 ' A' ' 63' ' ' VAL . 86.0 m-85 -130.77 100.86 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.052 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.572 ' CD ' HD11 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -73.76 101.54 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.436 179.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.627 ' C ' HD13 ' A' ' 21' ' ' ILE . 19.4 t -116.07 121.95 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.494 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -109.3 133.16 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.725 ' CG ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -114.43 143.63 44.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.883 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.647 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.8 p -121.73 69.37 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.6 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.741 HG21 ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -148.98 147.08 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.96 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -86.31 2.98 45.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.373 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.69 38.64 2.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 24' ' ' THR . 61.2 p -76.08 -6.28 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.392 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 p -55.84 -43.98 77.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.769 0.319 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.6 t -69.24 -33.98 74.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.889 HD13 HD21 ' A' ' 79' ' ' LEU . 35.9 tp -77.82 -31.08 51.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.62 -21.68 61.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.28 -28.76 18.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.367 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.65 ' O ' HG22 ' A' ' 36' ' ' THR . 3.0 pp -83.19 -20.91 33.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.492 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD22 HD21 ' A' ' 43' ' ' LEU . 28.7 mt -84.1 -32.88 24.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.918 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -84.32 -4.86 59.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.494 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 33' ' ' LEU . 8.8 t -53.16 -34.06 55.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.805 0.336 . . . . 0.0 111.229 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 58.03 46.78 15.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -69.28 -40.64 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.041 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.63 169.27 12.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.741 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.88 72.61 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.797 2.332 . . . . 0.0 112.437 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -140.13 141.54 36.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 165.44 18.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.799 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.4 HD21 HD22 ' A' ' 34' ' ' LEU . 4.3 mp -134.62 132.46 39.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -100.8 92.11 4.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -59.8 110.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.734 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.118 -179.709 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 CA--C 1.522 -0.099 0 CA-C-O 120.845 0.355 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -98.13 109.08 21.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.489 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.684 ' HA ' HD12 ' A' ' 21' ' ' ILE . 71.4 m -87.07 136.26 32.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.359 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -149.19 120.3 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.602 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -87.75 157.73 18.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.967 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.449 HG21 HD13 ' A' ' 76' ' ' ILE . 4.5 t -139.54 110.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.53 108.47 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.474 ' C ' HD23 ' A' ' 15' ' ' LEU . 12.9 ttt -132.05 152.32 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.39 117.47 16.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.445 HG22 HD12 ' A' ' 72' ' ' ILE . 61.9 t -108.86 144.94 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.482 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -114.8 -31.65 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.23 -176.86 2.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -54.99 -30.21 58.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -56.21 14.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.6 mt-10 -64.47 -48.8 73.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.538 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -44.46 -34.52 2.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.367 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -79.22 -30.88 43.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.3 tt0 -81.66 -36.63 28.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.2 mt -69.48 -29.74 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.248 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -54.73 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -59.36 -30.01 68.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.097 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -70.96 -53.14 15.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.449 HD13 HG21 ' A' ' 59' ' ' VAL . 2.9 tp -64.55 -36.58 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -99.23 27.36 5.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -63.5 -55.17 26.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.889 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -57.42 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -116.92 52.21 0.96 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.741 ' CE ' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER -123.0 -58.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.725 HG12 ' CG ' ' A' ' 22' ' ' MET . 34.9 m -44.18 143.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.685 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.647 HG21 ' OG1' ' A' ' 23' ' ' THR . 67.9 t -122.85 -49.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.185 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.402 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -91.31 128.82 37.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 p -136.28 120.32 17.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.955 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.803 0.335 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.9 Cg_endo -89.35 68.2 2.32 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.732 2.288 . . . . 0.0 112.583 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.25 163.25 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 120.05 15.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -116.08 140.43 49.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.97 151.08 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -130.87 103.16 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.993 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -70.95 103.92 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.76 HG13 HG22 ' A' ' 85' ' ' THR . 21.7 t -121.85 120.53 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.511 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.79 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.9 mm -115.62 138.27 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.745 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.653 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.9 153.21 36.2 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.003 0.43 . . . . 0.0 110.762 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.617 HG22 ' HB ' ' A' ' 83' ' ' VAL . 1.8 t -131.16 69.11 1.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.285 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.442 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -143.94 150.79 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.142 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -98.32 26.35 5.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -139.2 39.86 2.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 p -76.03 -5.18 45.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.464 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -52.14 -26.36 11.17 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.801 0.334 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.579 HG23 ' CD1' ' A' ' 79' ' ' LEU . 9.7 t -80.94 -30.89 35.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.436 HD23 ' HE2' ' A' ' 22' ' ' MET . 11.0 tp -82.79 -41.69 18.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.878 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -30.48 64.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -85.46 -31.22 22.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.787 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.632 ' O ' HG22 ' A' ' 36' ' ' THR . 1.3 mm? -76.59 -28.07 56.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -87.74 -36.45 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -75.54 -7.32 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.339 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 33' ' ' LEU . 12.5 t -58.97 -37.39 76.69 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.799 0.333 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 59.8 47.73 9.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -61.47 -59.33 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER -107.98 170.8 5.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.526 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 29.1 Cg_exo -62.36 74.8 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.612 2.208 . . . . 0.0 112.344 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -140.03 146.64 39.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.878 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.05 169.98 16.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.762 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HG ' HG13 ' A' ' 59' ' ' VAL . 3.3 mp -139.88 139.13 36.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -100.58 97.05 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.439 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -59.79 115.59 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.033 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -92.45 109.13 20.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.79 ' HA ' HD12 ' A' ' 21' ' ' ILE . 72.2 m -89.1 128.88 35.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.289 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -145.05 126.01 14.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.673 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 3.7 t-20 -91.16 161.49 15.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.905 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.49 HG13 ' HG ' ' A' ' 43' ' ' LEU . 2.2 t -139.36 120.32 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.281 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.04 113.24 25.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.627 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.413 ' HB3' HD13 ' A' ' 72' ' ' ILE . 5.0 ttt -134.17 150.83 51.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.082 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.19 107.07 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 61.5 t -95.73 139.51 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -110.65 -27.86 8.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.875 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -178.18 1.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -54.98 -36.73 65.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -48.15 -52.12 22.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.56 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.6 mt-10 -64.79 -50.13 67.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.564 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -35.93 1.62 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.219 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.07 -31.7 56.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.738 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' GLU . 28.8 tt0 -80.02 -38.44 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.924 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.6 mt -68.61 -26.92 34.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.349 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -80.25 -41.24 25.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.415 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 17.1 pt20 -74.31 -38.44 63.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.079 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 5.6 ptpt -64.2 -41.8 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.162 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 5.5 tp -69.51 -38.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.067 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.481 ' CB ' HG21 ' A' ' 82' ' ' VAL . 84.8 p -99.08 28.71 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -37.68 84.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.579 ' CD1' HG23 ' A' ' 29' ' ' THR . 0.8 OUTLIER -73.47 -175.8 2.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.955 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.7 30.43 7.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.063 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.485 ' O ' HG23 ' A' ' 83' ' ' VAL . 6.4 mmpt? -98.87 -58.03 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.77 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.653 HG12 ' HG3' ' A' ' 22' ' ' MET . 35.8 m -48.02 129.26 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.541 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.617 ' HB ' HG22 ' A' ' 23' ' ' THR . 91.4 t -124.09 -36.93 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.068 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -109.86 106.88 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.76 HG22 HG13 ' A' ' 20' ' ' VAL . 77.9 p -120.65 153.69 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.857 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 N--CA 1.461 0.09 0 CA-C-O 120.857 0.36 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 60.1 Cg_endo -91.49 68.45 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.809 2.339 . . . . 0.0 112.524 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -143.41 163.2 33.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 118.73 17.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.4 t-105 -114.82 144.24 43.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -92.74 152.33 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -132.31 101.42 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.575 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -77.72 99.96 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.638 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.689 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.8 t -116.06 126.54 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.257 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.689 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.8 mm -110.4 138.16 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.465 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -116.65 145.51 43.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.714 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.611 ' OG1' HG21 ' A' ' 83' ' ' VAL . 6.0 p -122.17 69.8 0.96 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.77 HG21 ' CD ' ' A' ' 81' ' ' LYS . 2.7 m -132.58 156.97 45.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 27.7 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.548 ' O ' HG22 ' A' ' 29' ' ' THR . 0.7 OUTLIER -155.42 49.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -70.91 -9.8 58.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.501 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 16.0 m -51.14 -26.44 6.68 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.861 0.362 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 26' ' ' ASP . 3.4 t -75.99 -28.59 57.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.595 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -80.34 -45.0 18.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.664 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' SER . 49.2 pttt -57.08 -22.93 43.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 1.4 pt-20 -90.2 -30.73 17.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.717 ' O ' HG22 ' A' ' 36' ' ' THR . 1.7 pp -87.15 -23.11 24.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.074 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.617 HD22 HD21 ' A' ' 43' ' ' LEU . 59.8 mt -85.94 -28.24 24.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -90.06 -4.9 57.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.579 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 33' ' ' LEU . 9.8 t -59.49 -40.28 86.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.695 0.283 . . . . 0.0 111.053 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 58.13 44.43 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.074 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -56.63 -38.71 72.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -125.55 171.18 8.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.332 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.448 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 27.3 Cg_exo -63.08 71.37 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.0 112.526 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 39' ' ' ARG . 19.2 p90 -137.8 142.11 40.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' C ' HD12 ' A' ' 43' ' ' LEU . 20.8 mttp -122.11 169.52 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.617 HD21 HD22 ' A' ' 34' ' ' LEU . 4.8 mp -140.14 139.04 35.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.043 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -105.05 91.76 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.456 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.83 118.01 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.047 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.719 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -88.45 109.5 20.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.646 ' CB ' HD12 ' A' ' 21' ' ' ILE . 9.3 t -87.31 135.09 33.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 56' ' ' SER . 26.8 m-85 -147.6 130.81 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.08 162.65 13.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.42 HG21 HD13 ' A' ' 76' ' ' ILE . 4.1 t -141.11 112.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.425 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.87 110.81 23.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.408 ' HB3' HD13 ' A' ' 72' ' ' ILE . 9.2 tpt -133.83 154.37 51.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -74.89 105.69 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.588 HG22 HD12 ' A' ' 72' ' ' ILE . 57.8 t -94.69 139.07 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.9 m -112.52 -29.1 7.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.5 -176.81 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.915 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -56.8 -37.27 70.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.36 -50.95 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.521 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.8 mt-10 -67.2 -52.74 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -44.32 -31.14 0.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.338 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -80.01 -32.39 39.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -82.18 -34.97 28.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.741 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.588 HD12 HG22 ' A' ' 63' ' ' VAL . 4.0 mt -70.21 -29.65 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.171 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.97 -45.62 16.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.074 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.6 -39.71 77.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -60.62 -49.41 77.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 59' ' ' VAL . 5.9 tp -65.41 -35.54 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.925 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.416 ' CB ' HG21 ' A' ' 82' ' ' VAL . 58.7 m -99.85 26.48 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -67.85 -36.83 81.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.46 -177.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -112.42 30.96 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.77 ' CD ' HG21 ' A' ' 24' ' ' THR . 25.9 mmtt -102.55 -48.35 4.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 31.3 m -53.08 139.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.384 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.611 HG21 ' OG1' ' A' ' 23' ' ' THR . 94.4 t -128.34 -43.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.997 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.84 126.51 53.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.402 ' C ' HD12 ' A' ' 86' ' ' LEU . 20.3 p -117.13 143.99 45.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 85' ' ' THR . 8.9 mp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.821 0.343 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 61.2 Cg_endo -90.48 65.76 1.68 Allowed 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.744 2.296 . . . . 0.0 112.474 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.0 m -143.8 -178.74 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.038 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 61' ' ' MET . 0.2 OUTLIER -86.35 113.51 22.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.007 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -103.55 156.39 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 4.3 p-10 -111.96 154.39 25.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -137.04 121.63 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.148 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 tpp85 -88.29 99.59 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.672 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.1 t -115.01 129.47 71.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.653 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.672 HD13 ' C ' ' A' ' 20' ' ' VAL . 3.0 mm -118.04 141.94 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.679 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.858 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.7 mtt -118.81 141.42 48.65 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 111.052 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.705 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.2 p -120.77 69.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.646 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.899 HG21 ' HD3' ' A' ' 81' ' ' LYS . 5.8 m -142.88 152.02 41.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.018 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -98.99 28.14 4.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -150.02 47.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.6 p -76.47 -5.04 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.425 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -50.32 -27.87 6.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.84 0.353 . . . . 0.0 111.144 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -77.55 -29.0 52.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.727 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.563 HD12 ' HG3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -81.55 -43.92 18.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.946 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -52.97 -32.21 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.923 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -86.81 -29.2 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 36' ' ' THR . 1.5 mm? -77.8 -33.6 52.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.2 mt -83.94 -33.45 24.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -77.4 -4.97 48.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.422 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 33' ' ' LEU . 11.0 t -57.44 -37.73 73.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.876 0.369 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 41' ' ' PHE . 6.7 m-85 58.98 46.96 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -57.8 -45.68 85.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.651 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -121.2 167.2 13.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.489 179.651 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 23.5 Cg_endo -61.8 75.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.48 2.12 . . . . 0.0 112.55 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 39' ' ' ARG . 23.6 p90 -140.08 158.09 44.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -140.07 167.56 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.366 . . . . 0.0 111.069 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -135.89 129.71 32.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.783 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.84 96.82 9.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.888 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -59.8 120.81 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.995 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.852 0.358 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -95.37 109.3 21.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.66 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 21' ' ' ILE . 14.6 t -78.42 135.82 37.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.138 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -142.09 124.56 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.716 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -91.68 165.69 13.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.453 HG21 HD13 ' A' ' 76' ' ' ILE . 42.6 t -141.37 138.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.063 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 m -135.93 113.05 10.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.63 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.857 ' HG3' HD13 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -145.06 167.23 23.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.165 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -85.67 133.06 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG11 ' HD2' ' A' ' 69' ' ' ARG . 60.5 t -122.81 140.77 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.646 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 31.5 t -113.46 -25.39 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.349 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.37 -175.35 0.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.876 0.369 . . . . 0.0 111.117 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -33.93 68.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -51.16 -57.2 9.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.4 mt-10 -61.82 -52.17 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.076 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.485 ' HD2' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -42.57 -52.91 4.62 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.468 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.84 -30.06 67.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -37.75 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.857 HD13 ' HG3' ' A' ' 61' ' ' MET . 4.0 mt -68.0 -30.55 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.02 -57.58 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.091 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.15 -29.64 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.8 -56.67 10.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.581 HG12 HG21 ' A' ' 20' ' ' VAL . 5.8 tp -62.55 -31.09 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m -97.43 22.52 8.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -60.54 -52.31 65.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 79' ' ' LEU . 3.5 mm? -64.8 172.2 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -108.88 32.63 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.899 ' HD3' HG21 ' A' ' 24' ' ' THR . 12.5 mmtm -105.69 -55.69 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.794 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.858 HG12 ' HG2' ' A' ' 22' ' ' MET . 34.8 m -44.45 135.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.595 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.705 HG21 ' OG1' ' A' ' 23' ' ' THR . 60.6 t -119.33 -45.39 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -97.21 120.34 37.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -123.31 132.34 53.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 86' ' ' LEU . 1.7 tt . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.007 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.5 Cg_endo -89.15 68.43 2.42 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.543 2.162 . . . . 0.0 112.58 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.03 165.11 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.824 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 109.85 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -106.02 138.12 42.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.07 151.42 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -128.85 103.79 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.039 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 100.12 4.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.499 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.788 HG13 HG22 ' A' ' 85' ' ' THR . 18.3 t -121.15 126.1 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.573 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.676 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.8 mm -111.05 141.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.634 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -118.92 141.6 48.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.587 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.496 ' CG2' HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -123.78 69.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.464 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.782 HG21 ' CD ' ' A' ' 81' ' ' LYS . 2.1 m -136.56 152.37 50.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.209 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -88.81 -14.15 37.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.222 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 24' ' ' THR . 1.1 t70 -110.97 49.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 p -77.51 -5.0 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.418 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -26.05 36.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.825 0.345 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.604 ' O ' HD13 ' A' ' 33' ' ' LEU . 10.2 t -80.44 -33.48 36.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.412 . . . . 0.0 110.505 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.661 ' HG ' HD11 ' A' ' 34' ' ' LEU . 46.8 tp -80.74 -40.84 24.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -30.42 69.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 36' ' ' THR . 11.9 pt-20 -83.7 -29.65 27.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 29' ' ' THR . 3.1 mp -72.17 -37.23 69.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.748 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.661 HD11 ' HG ' ' A' ' 30' ' ' LEU . 3.6 mt -76.02 -31.75 59.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.1 -8.11 55.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.361 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 32' ' ' GLU . 81.8 p -58.6 -44.92 90.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 56.18 35.44 25.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.22 -31.33 71.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -116.67 170.68 5.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.721 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 64.9 Cg_endo -74.03 59.02 4.33 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.519 2.146 . . . . 0.0 112.236 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -121.96 153.28 38.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -128.67 165.46 20.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.619 HD21 HD22 ' A' ' 34' ' ' LEU . 1.9 mp -140.0 130.97 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -100.58 90.4 4.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.98 109.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.896 0.379 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -86.64 109.26 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.647 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.66 ' HA ' HD12 ' A' ' 21' ' ' ILE . 72.8 m -89.6 123.27 33.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -137.11 130.3 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.5 163.1 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.509 HG21 HD13 ' A' ' 76' ' ' ILE . 3.9 t -140.16 111.71 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.236 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.0 m -105.39 108.66 20.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.5 tpt -131.13 154.81 47.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.61 100.52 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.616 HG22 HD12 ' A' ' 72' ' ' ILE . 43.9 t -90.01 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 7.5 t -113.86 -28.73 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.09 -169.0 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.036 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.75 -36.41 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -51.7 -51.66 54.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.3 mt-10 -68.05 -53.08 28.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -31.36 0.93 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.373 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.67 -31.23 36.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.745 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.7 tt0 -81.9 -36.83 27.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.616 HD12 HG22 ' A' ' 63' ' ' VAL . 4.4 mt -69.88 -30.58 44.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.52 ' O ' HG22 ' A' ' 76' ' ' ILE . 53.5 t80 -77.36 -43.63 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.039 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -69.31 -30.34 68.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -67.59 -42.71 82.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 73' ' ' PHE . 5.4 tp -71.39 -30.94 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.965 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.449 ' HA ' HG21 ' A' ' 82' ' ' VAL . 5.9 t -99.5 26.34 6.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.769 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -35.52 78.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -176.89 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.27 29.77 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.782 ' CD ' HG21 ' A' ' 24' ' ' THR . 18.9 mmtm -98.59 -61.39 1.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.634 HG12 ' HG3' ' A' ' 22' ' ' MET . 31.1 m -45.42 134.93 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.532 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.496 HG21 ' CG2' ' A' ' 23' ' ' THR . 75.0 t -127.69 -39.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.99 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.7 132.3 46.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.788 HG22 HG13 ' A' ' 20' ' ' VAL . 9.9 p -140.59 137.93 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.964 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.738 0.304 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 61.0 Cg_endo -90.57 68.43 1.54 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.724 2.283 . . . . 0.0 112.536 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.38 174.34 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.794 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 61' ' ' MET . 0.2 OUTLIER -79.19 120.92 24.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.402 ' O ' ' HE1' ' A' ' 61' ' ' MET . 14.5 t-105 -112.58 161.21 17.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.7 141.79 47.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.43 ' CE2' ' CE ' ' A' ' 61' ' ' MET . 46.6 m-85 -127.01 116.44 20.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.148 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.573 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -80.1 100.21 8.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.531 179.602 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.814 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.7 t -110.85 125.24 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.418 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.814 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.3 mm -113.92 135.53 53.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.46 143.77 47.34 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.975 0.417 . . . . 0.0 110.581 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.507 ' CG2' HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -124.44 69.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.448 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.782 HG21 ' HD3' ' A' ' 81' ' ' LYS . 1.8 m -132.68 152.39 51.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.65 26.58 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -150.14 48.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.645 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -75.5 -5.66 46.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.52 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.1 m -53.36 -27.21 22.51 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.88 0.371 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -81.18 -32.55 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.393 . . . . 0.0 110.382 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 79' ' ' LEU . 12.5 tp -81.0 -42.51 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -54.45 -34.8 62.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.01 -31.05 31.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.824 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.713 ' O ' HG22 ' A' ' 36' ' ' THR . 4.1 mp -79.06 -25.59 43.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.596 ' HB3' HD22 ' A' ' 43' ' ' LEU . 97.0 mt -88.26 -30.49 19.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.02 -11.06 48.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.358 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 33' ' ' LEU . 10.2 t -56.45 -34.87 67.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 58.34 48.02 13.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -56.75 -47.52 79.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.766 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -112.93 167.19 9.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 35.4 Cg_endo -65.27 73.19 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.505 2.136 . . . . 0.0 112.432 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.407 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 27.9 p90 -140.02 160.91 38.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.707 ' O ' HD12 ' A' ' 43' ' ' LEU . 1.5 mtmp? -136.09 157.96 45.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 42' ' ' LYS . 8.8 mp -130.19 120.71 24.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -96.43 89.85 5.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.663 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.23 136.58 58.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.424 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.957 -179.899 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.942 0.401 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -93.92 109.37 21.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.647 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.724 ' CB ' HD12 ' A' ' 21' ' ' ILE . 36.8 m -99.64 130.53 45.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.374 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.625 ' CZ ' HD11 ' A' ' 76' ' ' ILE . 26.5 p90 -144.8 169.88 17.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.05 164.1 17.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.055 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.654 HG13 HD11 ' A' ' 43' ' ' LEU . 21.2 t -136.35 109.86 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -106.66 110.52 22.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.724 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.793 ' CG ' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -140.55 171.93 13.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.85 133.38 37.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 63.1 t -130.83 139.78 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 62.2 m -112.75 -29.28 7.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -175.58 -176.07 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.067 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -29.61 37.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -55.35 20.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.578 ' O ' HG13 ' A' ' 72' ' ' ILE . 4.2 mt-10 -63.76 -50.35 69.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.36 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -44.71 -32.1 1.4 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.37 -31.65 48.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.4 tt0 -82.48 -34.97 27.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.793 HD13 ' CG ' ' A' ' 61' ' ' MET . 5.1 mt -71.49 -25.96 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.269 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -42.29 23.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.323 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 1.0 OUTLIER -72.03 -24.92 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.19 -179.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -49.66 21.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.057 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.625 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 3.4 tp -68.3 -29.69 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.944 0.402 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 t -99.57 24.56 8.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.769 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -59.49 -36.84 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -89.71 -176.8 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -110.23 37.16 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.004 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.782 ' HD3' HG21 ' A' ' 24' ' ' THR . 2.1 mmtp -98.33 -61.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.791 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 30.8 m -46.37 135.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.608 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.507 HG21 ' CG2' ' A' ' 23' ' ' THR . 65.0 t -129.41 -39.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.145 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.79 105.26 11.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -119.11 154.29 33.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.649 ' OXT' HD23 ' A' ' 86' ' ' LEU . 8.2 tt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.965 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.882 0.372 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.2 Cg_endo -88.65 68.4 2.8 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.666 2.244 . . . . 0.0 112.472 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.05 164.76 29.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.596 HD23 ' C ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -73.18 117.27 14.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -115.0 133.51 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.04 153.43 21.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -131.57 105.52 7.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.155 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.07 101.6 4.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.734 ' C ' HD13 ' A' ' 21' ' ' ILE . 19.9 t -120.1 126.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.434 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.7 mm -112.43 144.87 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.753 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.859 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.5 mtt -121.11 141.52 50.72 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.838 0.351 . . . . 0.0 110.509 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' HB ' ' A' ' 83' ' ' VAL . 1.4 t -124.43 69.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.428 HG21 ' CE ' ' A' ' 81' ' ' LYS . 1.7 m -139.22 155.31 47.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.042 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.32 28.61 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.84 31.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.3 p -71.15 -10.33 59.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.348 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.4 p -49.25 -32.27 10.38 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.749 0.309 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.501 ' O ' HD23 ' A' ' 33' ' ' LEU . 9.9 t -64.11 -30.09 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.59 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.06 -39.16 56.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.679 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -54.05 -25.84 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.043 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 36' ' ' THR . 2.9 mm-40 -85.1 -41.38 15.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.061 0.457 . . . . 0.0 110.419 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 29' ' ' THR . 4.1 mm? -71.31 -30.82 66.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.59 HD11 HD22 ' A' ' 30' ' ' LEU . 10.1 mt -82.73 -34.16 27.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -75.26 -8.14 55.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.537 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 32' ' ' GLU . 46.1 p -51.07 -48.35 61.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m-85 61.75 31.67 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -56.82 -37.36 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.68 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.57 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 6.4 ptt85 -117.76 163.18 25.37 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.077 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.57 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 28.7 Cg_endo -63.04 70.48 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.374 2.049 . . . . 0.0 112.483 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' ARG . 12.3 p90 -133.15 142.82 48.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.428 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -127.72 165.33 20.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.001 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 42' ' ' LYS . 5.4 mp -137.73 132.11 32.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -101.06 93.09 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.621 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' A' ' 57' ' ' PHE . 3.4 m-85 -59.68 119.7 8.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.015 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 10.7 mmmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.815 0.341 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -82.02 109.15 16.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.691 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 46.4 m -91.1 123.42 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CD2' ' CD1' ' A' ' 45' ' ' PHE . 19.4 m-85 -136.54 139.0 41.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 21.8 m-80 -102.58 160.47 14.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.801 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 76' ' ' ILE . 2.8 t -139.4 112.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.252 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.81 110.31 22.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.596 ' C ' HD23 ' A' ' 15' ' ' LEU . 10.9 tpt -131.81 152.33 51.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -76.06 106.74 7.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.674 HG22 HD12 ' A' ' 72' ' ' ILE . 93.6 t -94.54 141.29 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.1 m -110.22 -30.42 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.99 -177.21 1.85 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.836 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.55 -33.91 60.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.34 -55.63 17.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.538 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.1 mt-10 -60.39 -50.4 73.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.453 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -45.27 -30.45 1.24 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -79.16 -31.32 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.744 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.6 tt0 -84.85 -33.06 22.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.772 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.674 HD12 HG22 ' A' ' 63' ' ' VAL . 5.2 mt -74.99 -28.8 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -79.71 -37.37 35.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -78.67 -28.09 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.029 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -69.32 -46.26 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.585 HD13 HG21 ' A' ' 59' ' ' VAL . 6.0 tp -68.8 -37.26 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.4 28.52 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.09 -35.8 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mp -82.18 -177.34 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.25 -21.31 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.428 ' CE ' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -49.72 -63.92 0.96 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.859 HG12 ' HG2' ' A' ' 22' ' ' MET . 34.9 m -45.73 147.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.449 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' A' ' 23' ' ' THR . 53.7 t -132.19 -48.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.008 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.41 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 28.5 tp60 -94.04 122.84 36.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.961 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -144.9 99.87 3.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.7 tp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.852 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 p90 . . . . . 0 CA--C 1.524 -0.046 0 CA-C-O 120.897 0.38 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 57.9 Cg_endo -89.09 68.93 2.42 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.598 2.199 . . . . 0.0 112.265 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.3 p -138.35 167.92 20.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.72 109.69 14.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -107.89 142.46 37.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.19 155.22 17.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.683 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -136.53 107.43 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.677 ' HB2' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -78.77 101.05 7.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.957 HG13 HG22 ' A' ' 85' ' ' THR . 24.7 t -114.05 118.55 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.4 mm -102.61 131.98 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.073 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.468 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -110.68 144.78 39.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.853 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.753 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.3 p -119.42 70.01 0.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.975 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.492 HG21 ' HE2' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -144.54 156.57 44.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 -15.68 20.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.247 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -111.12 46.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.961 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.5 p -77.81 -4.98 49.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.346 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.405 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 9.3 m -50.81 -33.69 24.55 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -74.35 -30.83 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.736 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 47.1 tp -82.21 -35.97 27.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 11.9 pttm -71.08 -20.28 62.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -90.11 -31.0 17.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.08 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.688 ' O ' HG22 ' A' ' 36' ' ' THR . 2.0 pp -80.71 -21.27 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD11 ' HG ' ' A' ' 30' ' ' LEU . 28.2 mt -84.08 -30.06 26.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -83.55 -9.6 58.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.388 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 33' ' ' LEU . 12.3 t -54.04 -28.83 41.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.825 0.345 . . . . 0.0 111.024 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 61.89 43.36 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' H ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -59.22 -29.59 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.724 179.764 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -137.64 167.47 20.34 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.517 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 32.9 Cg_endo -64.65 70.94 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.527 2.151 . . . . 0.0 112.578 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 26.4 p90 -140.1 151.61 45.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.87 166.59 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.761 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -140.14 124.04 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.824 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.8 mm-40 -96.92 93.7 6.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.363 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.56 117.57 5.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.915 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -109.25 109.27 20.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.701 ' HA ' HD12 ' A' ' 21' ' ' ILE . 70.5 m -81.83 132.17 35.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.171 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -140.28 142.19 35.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.749 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 4.4 m120 -108.55 158.12 17.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.7 t -136.89 109.98 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.339 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.09 106.81 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.43 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ttt -135.18 150.02 50.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.009 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -79.89 99.86 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.592 HG22 HD12 ' A' ' 72' ' ' ILE . 52.0 t -81.18 145.05 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.815 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 22.7 t -114.67 -30.82 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.05 -171.08 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.982 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.12 -30.68 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 m -58.21 -52.48 65.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.533 ' O ' HG13 ' A' ' 72' ' ' ILE . 7.4 mm-40 -64.57 -52.83 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -42.9 -40.24 2.86 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.445 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.49 -34.17 73.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.1 tt0 -78.65 -38.61 39.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.592 HD12 HG22 ' A' ' 63' ' ' VAL . 3.5 mt -65.91 -27.23 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.0 -47.38 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.255 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -27.27 65.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.204 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -76.88 -43.09 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.024 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.412 HG12 HG21 ' A' ' 20' ' ' VAL . 6.2 tp -68.52 -34.93 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.378 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.458 ' HA ' HG21 ' A' ' 82' ' ' VAL . 30.9 t -99.56 27.15 5.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.834 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -67.21 -31.76 72.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.57 -175.67 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.95 29.32 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.492 ' HE2' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -98.76 -58.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.6 m -50.52 136.95 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.468 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.753 HG21 ' OG1' ' A' ' 23' ' ' THR . 94.0 t -123.81 -43.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -120.27 126.84 51.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.957 HG22 HG13 ' A' ' 20' ' ' VAL . 58.0 p -119.36 159.36 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.677 HD13 ' HB2' ' A' ' 19' ' ' ARG . 10.8 tp . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.916 0.388 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 66.7 Cg_endo -87.01 68.31 4.13 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.656 2.237 . . . . 0.0 112.401 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -141.1 161.97 36.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.663 HD23 ' C ' ' A' ' 61' ' ' MET . 0.6 OUTLIER -71.6 116.88 12.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -114.07 138.59 50.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.13 155.9 19.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -138.88 101.52 4.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.434 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -69.88 106.32 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.573 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.837 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.6 t -122.45 126.09 73.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.5 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.837 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.2 mm -114.51 142.27 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.813 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.823 ' HG2' HG12 ' A' ' 82' ' ' VAL . 3.8 mtt -118.18 142.9 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.514 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.465 ' OG1' HG21 ' A' ' 83' ' ' VAL . 8.2 p -122.29 69.63 0.96 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.751 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.432 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -145.13 154.1 42.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.33 27.25 4.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.949 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.72 38.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.462 HG22 ' HB3' ' A' ' 81' ' ' LYS . 71.1 p -76.28 -5.11 45.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.419 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -49.99 -31.25 12.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 30' ' ' LEU . 8.8 t -67.94 -44.88 75.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.758 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.673 HD23 ' SD ' ' A' ' 22' ' ' MET . 11.1 tp -77.07 -32.59 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' CE ' ' CZ ' ' A' ' 57' ' ' PHE . 15.4 mtpt -70.02 -21.45 63.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.15 -28.26 19.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.348 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 33' ' ' LEU . 2.6 pp -85.66 -26.3 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.266 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.677 HD13 HD22 ' A' ' 43' ' ' LEU . 4.4 pp -90.07 -20.55 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.197 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -27.66 21.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.251 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 33' ' ' LEU . 2.0 t -54.34 -23.75 16.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.446 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 66.06 42.77 3.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -54.43 -43.76 71.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' HG3' ' CE1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -111.11 170.19 5.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.59 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 59.0 Cg_endo -72.42 61.67 3.49 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.436 2.091 . . . . 0.0 112.406 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.631 ' HE2' HD11 ' A' ' 43' ' ' LEU . 7.9 p90 -133.48 147.21 51.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -116.1 169.45 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.677 HD22 HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -140.24 132.05 27.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 7.9 mt-10 -99.21 93.77 6.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.971 0.415 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -59.73 130.4 46.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.962 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.665 0.269 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -80.22 109.16 14.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.553 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.678 ' HA ' HD12 ' A' ' 21' ' ' ILE . 22.9 t -92.13 128.33 37.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.273 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CZ ' ' CE ' ' A' ' 31' ' ' LYS . 35.5 m-85 -145.78 133.94 21.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.576 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.3 t-20 -96.6 162.72 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.418 HG21 HD13 ' A' ' 76' ' ' ILE . 3.0 t -138.07 109.97 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.22 101.82 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.501 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.663 ' C ' HD23 ' A' ' 15' ' ' LEU . 7.2 ttt -123.78 144.92 49.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.005 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.44 100.01 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 93.1 t -85.55 141.64 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.976 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 3.0 p -110.68 -31.27 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.45 -176.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -29.59 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -51.01 65.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.521 ' O ' HG13 ' A' ' 72' ' ' ILE . 5.6 mm-40 -68.85 -49.03 61.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.593 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -42.49 -40.41 2.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.442 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -31.98 59.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.4 mt-10 -76.61 -45.09 31.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 68' ' ' GLU . 2.4 mt -63.07 -28.18 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.216 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.18 -46.7 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.348 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -66.1 -30.37 70.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.249 -179.636 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -75.5 -57.46 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 72' ' ' ILE . 2.4 tp -56.73 -36.34 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.056 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.865 ' HA ' HG21 ' A' ' 82' ' ' VAL . 67.1 m -103.77 24.95 10.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.48 -31.57 60.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -77.57 -176.93 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.24 -19.96 16.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -53.05 -68.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 111.124 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.865 HG21 ' HA ' ' A' ' 77' ' ' SER . 26.1 m -47.46 136.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.478 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.465 HG21 ' OG1' ' A' ' 23' ' ' THR . 69.6 t -128.46 -40.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -100.28 113.92 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.8 p -120.33 114.76 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.884 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 CA--C 1.524 -0.044 0 CA-C-O 120.849 0.357 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 66.3 Cg_endo -87.67 68.58 3.57 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.471 2.114 . . . . 0.0 112.443 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.55 162.98 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.604 HD13 ' HA ' ' A' ' 62' ' ' GLU . 4.3 mm? -71.05 121.14 17.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -118.51 141.25 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.1 147.39 23.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.563 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.458 ' CD1' ' CZ ' ' A' ' 73' ' ' PHE . 61.2 m-85 -128.65 109.16 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.029 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.537 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -75.86 101.4 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.565 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.76 HG13 HG22 ' A' ' 85' ' ' THR . 20.2 t -118.24 117.69 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.488 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.3 mm -108.75 136.22 45.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.567 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -112.43 146.04 39.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.946 0.403 . . . . 0.0 110.752 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.65 ' OG1' HG21 ' A' ' 83' ' ' VAL . 10.4 p -122.78 69.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.668 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.701 HG21 ' HD2' ' A' ' 81' ' ' LYS . 3.0 m -134.51 157.27 46.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.056 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -100.67 29.89 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -162.79 49.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -77.15 -4.97 47.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.399 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -50.69 -30.3 13.39 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.488 ' O ' HD23 ' A' ' 33' ' ' LEU . 9.6 t -74.43 -30.21 61.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.653 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.47 -36.38 57.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -59.29 -31.63 69.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -83.74 -28.61 28.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 36' ' ' THR . 1.7 mm? -74.73 -28.81 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.653 HD11 HD22 ' A' ' 30' ' ' LEU . 2.9 mt -89.94 -29.83 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -75.86 -13.16 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.488 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 33' ' ' LEU . 8.4 t -56.75 -41.24 77.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.858 0.361 . . . . 0.0 111.096 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 58.86 42.54 19.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.62 -48.43 81.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.07 171.37 4.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.65 74.8 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.765 2.31 . . . . 0.0 112.475 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -140.02 152.45 46.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.997 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -135.38 162.47 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.677 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB3' ' A' ' 34' ' ' LEU . 1.4 mp -140.16 129.19 23.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.5 mm-40 -99.62 92.81 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.558 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -59.65 115.06 3.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.908 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.914 0.387 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -88.2 109.25 19.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.645 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.782 ' HA ' HD12 ' A' ' 21' ' ' ILE . 74.1 m -86.05 129.32 34.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.173 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -142.93 131.47 22.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 3.9 m-20 -96.03 161.32 14.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.755 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.9 t -139.82 113.71 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.549 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.17 101.0 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.264 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.2 ttt -121.79 150.66 41.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.604 ' HA ' HD13 ' A' ' 15' ' ' LEU . 3.7 mt-10 -69.9 99.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.716 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.499 HG22 HD12 ' A' ' 72' ' ' ILE . 45.6 t -87.36 136.89 22.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 45.5 t -107.7 -31.31 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.97 -172.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -57.3 -32.16 66.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.024 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.2 m -56.33 -52.96 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.78 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.596 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -64.09 -51.76 62.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.312 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -42.36 -37.29 1.51 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.542 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -29.92 57.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -82.41 -33.93 28.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 68' ' ' GLU . 5.5 mt -71.32 -27.22 28.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.271 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.458 ' CZ ' ' CD1' ' A' ' 18' ' ' TYR . 2.7 m-85 -80.22 -46.24 16.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.477 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 15.4 pt20 -70.42 -29.47 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.236 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -75.21 -39.57 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 73' ' ' PHE . 4.7 tp -71.72 -32.88 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.7 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.423 ' CB ' HG21 ' A' ' 82' ' ' VAL . 17.3 m -100.36 23.91 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.929 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -65.74 -30.96 71.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.14 -176.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.24 30.81 7.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.701 ' HD2' HG21 ' A' ' 24' ' ' THR . 34.0 mmtm -109.27 -52.56 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.567 HG12 ' HG3' ' A' ' 22' ' ' MET . 28.0 m -49.4 125.52 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.412 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.65 HG21 ' OG1' ' A' ' 23' ' ' THR . 81.3 t -120.64 -35.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.92 110.44 19.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.018 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.76 HG22 HG13 ' A' ' 20' ' ' VAL . 23.5 p -122.32 156.42 33.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.414 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.54 0.21 . . . . 0.0 111.5 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 1' ' ' MET . 84.8 Cg_endo -83.2 52.34 3.91 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.617 2.211 . . . . 0.0 112.398 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.35 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -133.8 163.66 28.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.17 -51.84 2.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -127.0 133.9 50.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.09 159.06 43.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' O ' ' CG2' ' A' ' 9' ' ' THR . 42.6 Cg_endo -67.84 -28.25 36.54 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.543 2.162 . . . . 0.0 112.135 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.427 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 8.7 t 45.6 55.9 6.3 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.455 HG23 ' CE2' ' A' ' 12' ' ' TYR . 30.2 mm -115.07 97.58 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.923 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -149.46 99.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.306 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.455 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -142.32 89.48 8.51 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.695 179.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 62.3 Cg_endo -89.93 68.94 1.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.715 2.277 . . . . 0.0 112.449 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.86 178.89 7.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.093 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 61' ' ' MET . 6.2 tp -74.6 124.52 26.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.499 ' CD1' ' CZ ' ' A' ' 18' ' ' TYR . 3.2 t-105 -108.38 141.2 40.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -112.47 128.34 56.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.546 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CZ ' ' CD1' ' A' ' 16' ' ' TRP . 54.9 m-85 -122.32 123.54 41.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.178 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.575 ' HG3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -82.67 99.77 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.299 179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.872 ' C ' HD13 ' A' ' 21' ' ' ILE . 26.0 t -111.02 122.99 66.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.407 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.872 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.3 mm -115.28 143.97 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.551 ' CG ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.76 150.02 41.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.691 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.708 ' OG1' HG21 ' A' ' 83' ' ' VAL . 11.9 p -125.94 69.68 1.2 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.727 HG21 ' HD3' ' A' ' 81' ' ' LYS . 1.2 m -149.45 154.34 38.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.04 29.01 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -145.76 33.94 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -77.02 -4.97 46.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.411 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -51.99 -29.83 22.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.79 0.329 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -71.9 -30.15 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.745 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.43 -46.08 16.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.698 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -58.16 -22.11 49.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -90.3 -30.04 17.73 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.645 ' O ' HG22 ' A' ' 36' ' ' THR . 1.4 pp -87.37 -30.65 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.3 mt -77.3 -25.37 51.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.799 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -5.31 59.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.588 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 33' ' ' LEU . 12.8 t -56.22 -36.93 69.0 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.851 0.358 . . . . 0.0 110.964 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 60.06 45.15 12.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' H ' HG23 ' A' ' 36' ' ' THR . 7.5 mm-40 -59.38 -57.6 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -106.09 170.67 5.56 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 38.6 Cg_exo -61.29 74.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.562 2.174 . . . . 0.0 112.593 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' ARG . 16.4 p90 -140.11 154.03 46.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -140.12 166.9 23.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mp -138.91 132.32 30.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.38 97.97 9.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.613 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -59.56 128.18 35.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HG3' ' HB3' ' A' ' 56' ' ' SER . 13.0 mmtp -85.35 -35.93 21.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -155.97 147.14 22.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.7 m -89.3 -41.81 11.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m -166.52 31.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -100.04 -41.74 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.86 86.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.04 59.86 5.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -170.32 -54.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -135.31 124.71 24.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -80.45 109.11 14.64 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.313 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.64 ' HA ' HD12 ' A' ' 21' ' ' ILE . 68.8 m -95.65 133.83 39.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.377 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -148.41 136.9 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -97.09 161.94 13.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.725 0.298 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.438 HG12 ' SD ' ' A' ' 61' ' ' MET . 14.9 t -137.59 110.32 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.565 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.13 115.19 27.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.281 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.802 ' HG3' HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -146.05 162.2 38.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.953 0.406 . . . . 0.0 111.343 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.96 125.4 26.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.297 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 94.7 t -123.61 141.45 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.448 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.1 t -111.47 -29.81 7.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -177.44 -175.02 0.52 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.08 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -32.79 39.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -54.48 19.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.981 0.42 . . . . 0.0 110.561 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.572 ' O ' HG13 ' A' ' 72' ' ' ILE . 3.6 mt-10 -67.98 -52.61 33.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.147 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -30.36 1.24 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.71 -30.44 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.734 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' GLU . 4.0 tp10 -84.5 -34.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.802 HD13 ' HG3' ' A' ' 61' ' ' MET . 5.7 mt -71.72 -28.87 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -76.63 -36.2 57.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -80.06 -27.04 39.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -75.56 -40.1 57.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.015 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.8 tp -72.8 -31.54 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.03 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.0 t -100.49 26.24 6.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -52.94 62.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.28 -175.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -119.08 31.39 6.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.727 ' HD3' HG21 ' A' ' 24' ' ' THR . 18.8 mmtp -101.15 -56.49 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.762 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.551 HG12 ' CG ' ' A' ' 22' ' ' MET . 35.4 m -47.38 137.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.488 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.708 HG21 ' OG1' ' A' ' 23' ' ' THR . 69.5 t -123.25 -44.66 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.84 131.61 52.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.543 HG22 HG13 ' A' ' 20' ' ' VAL . 63.8 p -134.69 152.84 52.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.765 0.317 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.84 -35.44 15.73 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.503 2.136 . . . . 0.0 112.353 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.47 109.62 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -94.99 -174.83 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -168.57 -43.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -99.03 171.04 8.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.016 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -125.22 156.48 69.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.711 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' O ' ' CG2' ' A' ' 9' ' ' THR . 9.7 Cg_endo -53.09 -58.47 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.653 2.235 . . . . 0.0 112.249 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 9.7 t 46.17 54.59 8.12 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.131 0.491 . . . . 0.0 110.999 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.845 HG23 ' CE2' ' A' ' 12' ' ' TYR . 29.0 mm -114.61 98.28 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 10' ' ' ILE . 11.7 mm -143.84 99.36 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.987 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.845 ' CE2' HG23 ' A' ' 10' ' ' ILE . 2.7 p90 -148.13 89.4 5.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.935 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 60.9 Cg_endo -89.91 67.42 2.02 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.72 2.28 . . . . 0.0 112.223 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.2 p -139.63 170.05 16.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.59 112.01 17.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -106.95 141.32 38.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.02 145.45 24.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.714 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.402 ' CE2' HG21 ' A' ' 72' ' ' ILE . 85.2 m-85 -125.31 106.16 9.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.462 ' HD3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -75.77 100.01 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.465 179.774 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.784 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.4 t -117.81 127.69 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.44 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.784 HD13 ' C ' ' A' ' 20' ' ' VAL . 2.2 mm -117.66 137.41 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.887 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.8 mtt -114.65 144.5 43.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 111.012 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.535 ' OG1' HG21 ' A' ' 83' ' ' VAL . 8.1 p -122.65 69.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.389 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.698 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -149.96 149.18 30.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.031 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 0.16 55.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.352 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.09 37.79 3.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.884 0.373 . . . . 0.0 110.811 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 p -77.21 -4.94 47.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.403 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.34 -30.15 4.64 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 30' ' ' LEU . 9.3 t -72.71 -45.77 57.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.562 HD23 ' SD ' ' A' ' 22' ' ' MET . 13.5 tp -75.18 -29.88 60.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.83 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -33.4 67.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -87.25 -28.62 22.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.855 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 36' ' ' THR . 0.2 OUTLIER -71.08 -28.33 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.4 mt -89.87 -32.02 17.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.27 -8.06 59.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.479 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 33' ' ' LEU . 9.8 t -60.06 -40.79 90.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.439 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 13.7 m-85 58.64 44.93 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.11 -44.33 95.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 6.6 ptp85 -111.2 168.44 7.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.529 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 23.5 Cg_exo -65.11 65.0 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.681 2.254 . . . . 0.0 112.623 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 37' ' ' TYR . 17.6 p90 -128.78 141.92 51.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.772 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -120.42 167.19 12.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.07 137.56 34.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.046 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -104.63 92.07 4.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.475 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -59.67 114.4 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.961 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -72.24 -35.97 68.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -124.38 -174.23 2.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.57 -46.45 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.5 t -142.52 32.85 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.975 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -55.36 15.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 60.56 83.45 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.92 22.16 1.76 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.366 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.52 -6.23 1.95 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.752 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -135.31 116.14 14.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.437 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 3.5 m-85 -112.43 109.45 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.736 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.707 ' CB ' HD12 ' A' ' 21' ' ' ILE . 71.0 m -82.61 142.28 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 55' ' ' TYR . 94.6 m-85 -149.88 135.17 18.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.29 159.24 15.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.602 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.819 HG21 HD13 ' A' ' 76' ' ' ILE . 9.2 t -135.94 112.47 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.349 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.95 105.93 16.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.653 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.1 tpt -129.02 150.94 50.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.896 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -77.43 99.73 5.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.785 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.514 HG22 HD12 ' A' ' 72' ' ' ILE . 47.3 t -84.3 141.83 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 1.3 m -113.65 -31.39 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -177.32 -175.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.747 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -53.37 -28.18 27.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.019 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -61.8 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.759 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.533 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.0 mt-10 -62.77 -50.7 70.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.414 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 ttt-85 -42.62 -42.27 3.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.426 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.07 -34.99 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -76.64 -40.92 47.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.842 179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 68' ' ' GLU . 2.9 mt -62.8 -28.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -78.35 -52.63 8.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -67.25 -26.87 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -69.02 -45.85 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.819 HD13 HG21 ' A' ' 59' ' ' VAL . 2.8 tp -72.33 -34.39 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.5 m -97.84 28.52 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -54.42 47.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.3 -175.68 3.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.02 28.03 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.698 ' HD3' HG21 ' A' ' 24' ' ' THR . 9.7 mmtm -90.45 -63.98 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.887 HG12 ' HG2' ' A' ' 22' ' ' MET . 35.1 m -43.74 144.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.626 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.535 HG21 ' OG1' ' A' ' 23' ' ' THR . 60.6 t -118.55 -50.55 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -104.8 109.97 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.5 t -128.03 122.27 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.876 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.697 0.284 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.16 60.38 5.55 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.566 2.177 . . . . 0.0 112.321 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -172.83 75.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -143.47 85.53 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -122.74 -61.37 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tptt 59.78 173.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -132.22 131.65 22.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' O ' ' CG2' ' A' ' 9' ' ' THR . 22.1 Cg_endo -60.91 -42.29 38.59 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.455 2.104 . . . . 0.0 112.285 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 4.9 t 44.38 66.61 0.82 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.477 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.944 HG21 ' HB3' ' A' ' 66' ' ' GLU . 19.0 mm -147.36 99.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.862 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.1 mt -148.41 99.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.719 ' CE2' HG23 ' A' ' 10' ' ' ILE . 3.7 p90 -147.44 89.41 5.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.934 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 59.3 Cg_endo -91.24 68.18 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.759 2.306 . . . . 0.0 112.559 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.23 178.99 9.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.716 HD22 ' HA ' ' A' ' 62' ' ' GLU . 1.2 mm? -69.84 111.54 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -103.79 136.12 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.26 141.35 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.759 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -126.6 108.94 11.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -77.77 99.94 6.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.712 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.4 t -115.81 118.51 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.355 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -113.44 136.36 50.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.973 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.481 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -113.53 145.54 41.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.667 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.714 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.2 p -123.1 69.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.122 0.487 . . . . 0.0 110.708 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.49 167.83 21.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.44 -12.53 17.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.249 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -109.87 41.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 p -78.07 -4.84 49.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.293 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -50.08 -36.97 31.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.921 0.391 . . . . 0.0 111.036 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -70.7 -28.11 64.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.683 HD12 ' HG3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -78.09 -36.46 48.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -62.83 -31.49 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.76 -28.93 30.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.94 -36.9 67.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.656 HD22 HD21 ' A' ' 43' ' ' LEU . 3.1 mt -77.54 -30.49 52.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.31 -4.91 53.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.381 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -53.18 -47.28 68.96 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.822 0.344 . . . . 0.0 111.223 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 62.36 33.76 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -62.26 -45.97 90.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -109.14 167.69 8.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.511 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 42.7 Cg_endo -67.77 63.89 0.89 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.562 2.175 . . . . 0.0 112.387 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -129.59 147.47 51.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.97 167.72 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.778 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.656 HD21 HD22 ' A' ' 34' ' ' LEU . 2.8 mp -140.13 133.12 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 4.9 mt-10 -97.53 95.07 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -59.79 118.43 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.001 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -80.31 -32.97 37.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.733 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -130.14 172.11 12.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.795 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.6 p -130.37 -44.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.1 32.42 0.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -62.3 -43.17 99.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.31 45.96 13.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 0.0 110.768 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -95.61 19.2 11.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.452 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER 85.77 -36.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.592 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 5.1 m-85 -107.85 119.47 39.54 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.906 0.384 . . . . 0.0 111.004 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -97.23 109.26 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.421 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.756 ' HA ' HD12 ' A' ' 21' ' ' ILE . 58.7 m -89.52 131.87 35.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.461 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 56' ' ' SER . 36.0 m-85 -147.86 131.8 17.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.476 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 1.2 t-20 -97.04 164.43 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.15 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 76' ' ' ILE . 6.6 t -138.68 115.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.232 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -109.57 102.46 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.672 ' C ' HD13 ' A' ' 15' ' ' LEU . 9.2 tpt -127.16 147.2 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.685 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.716 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.9 tt0 -69.85 99.92 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.555 HG22 HD12 ' A' ' 72' ' ' ILE . 50.6 t -91.84 144.19 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -114.58 -25.42 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.67 -177.88 0.84 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.774 0.321 . . . . 0.0 111.005 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.944 ' HB3' HG21 ' A' ' 10' ' ' ILE . 10.6 pt-20 -54.5 -35.69 63.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.8 t -50.49 -52.91 34.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.027 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.526 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.6 mt-10 -64.88 -53.92 39.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.25 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -44.32 -38.93 4.21 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.263 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -67.97 -34.36 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.589 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' GLU . 22.2 tt0 -81.64 -35.23 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.555 HD12 HG22 ' A' ' 63' ' ' VAL . 3.5 mt -69.3 -29.31 41.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.004 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -75.91 -44.31 40.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.14 -28.26 67.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -74.16 -51.01 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.65 HG12 HG21 ' A' ' 20' ' ' VAL . 6.2 tp -66.28 -28.12 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.069 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.6 t -99.53 22.15 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -59.07 -54.43 47.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 79' ' ' LEU . 4.3 mm? -62.31 176.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.27 30.51 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.683 ' HG3' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -98.66 -45.55 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.733 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 28.8 m -51.33 126.11 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.36 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.714 HG21 ' OG1' ' A' ' 23' ' ' THR . 67.2 t -121.71 -35.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -127.59 117.8 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.3 t -127.8 172.05 11.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -69.17 -66.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.659 2.239 . . . . 0.0 112.117 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.59 157.47 37.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.29 166.35 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 m -132.78 36.79 3.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -146.71 130.23 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -79.62 154.49 76.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.498 ' O ' HG22 ' A' ' 9' ' ' THR . 18.6 Cg_endo -59.03 -43.75 40.24 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.562 2.175 . . . . 0.0 112.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 8' ' ' PRO . 11.3 t 47.38 47.99 16.69 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.933 HG21 ' HB3' ' A' ' 66' ' ' GLU . 27.6 mm -112.12 104.35 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.072 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.8 mt -149.36 99.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.995 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.799 ' CE2' HG23 ' A' ' 10' ' ' ILE . 2.4 p90 -148.74 89.56 4.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.743 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.7 Cg_endo -89.48 68.57 2.21 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.623 2.215 . . . . 0.0 112.447 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.98 169.57 17.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.768 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' C ' ' A' ' 61' ' ' MET . 0.9 OUTLIER -76.68 119.2 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -114.24 135.95 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -91.55 145.94 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -124.97 104.83 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.748 ' HD3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -74.65 99.89 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.64 179.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.83 ' C ' HD13 ' A' ' 21' ' ' ILE . 20.9 t -117.74 123.19 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.499 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.83 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.6 mm -114.59 140.92 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.778 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.695 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -122.46 152.16 40.56 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.96 0.41 . . . . 0.0 110.794 -179.811 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.636 HG22 ' HB ' ' A' ' 83' ' ' VAL . 2.8 t -129.46 69.59 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.535 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.599 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -144.81 158.32 43.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.073 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 -3.07 33.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.334 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.01 36.06 3.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.1 p -77.51 -4.9 47.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.463 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.407 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 6.9 p -51.87 -25.9 8.95 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.768 0.318 . . . . 0.0 111.247 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.803 ' O ' HD12 ' A' ' 33' ' ' LEU . 4.7 t -81.93 -34.48 29.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.997 0.427 . . . . 0.0 110.506 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' HG ' HD11 ' A' ' 34' ' ' LEU . 25.6 tp -79.93 -37.79 33.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.938 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -62.34 -29.09 70.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -83.85 -31.0 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 29' ' ' THR . 1.4 mt -72.15 -29.07 63.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.039 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.492 HD11 ' HG ' ' A' ' 30' ' ' LEU . 9.6 mt -90.16 -32.46 16.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -75.72 -24.69 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.257 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 33' ' ' LEU . 10.6 t -56.77 -35.91 69.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 59.17 47.87 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.89 -60.93 3.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HG3' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -93.27 164.8 20.06 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.34 79.55 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.659 2.239 . . . . 0.0 112.586 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 39' ' ' ARG . 46.0 p90 -140.08 168.83 18.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.774 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -140.11 166.81 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.739 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.22 130.45 25.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 2.5 mt-10 -98.26 94.91 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.552 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -59.7 115.14 3.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.792 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -77.42 -35.69 53.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.757 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -145.41 135.92 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 p -139.76 35.2 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -43.43 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -72.04 92.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.7 49.35 1.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -162.46 -49.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -128.11 121.56 29.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -88.55 109.17 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.477 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.644 ' HA ' HD12 ' A' ' 21' ' ' ILE . 69.7 m -98.11 130.98 44.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.217 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -149.11 130.43 14.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.705 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 1.3 t-20 -91.36 164.93 13.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 76' ' ' ILE . 9.5 t -139.33 111.85 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.416 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.61 105.08 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.758 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.511 ' C ' HD23 ' A' ' 15' ' ' LEU . 14.4 tpt -123.8 153.52 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.67 99.9 4.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.577 HG22 HD12 ' A' ' 72' ' ' ILE . 47.2 t -88.23 137.04 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 6.0 m -113.4 -28.33 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.06 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.15 -166.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.056 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.933 ' HB3' HG21 ' A' ' 10' ' ' ILE . 4.2 pt-20 -68.69 -30.61 69.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.4 m -55.28 -50.82 68.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.754 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.608 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -68.09 -54.9 14.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.0 ttt85 -43.41 -35.33 1.54 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.456 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -77.09 -29.48 54.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.642 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' GLU . 20.7 tt0 -82.9 -34.67 26.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 68' ' ' GLU . 6.5 mt -69.68 -28.34 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.068 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -81.41 -45.99 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.231 -179.715 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -67.19 -40.22 86.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 111.022 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -61.62 -50.3 73.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.521 HD13 HG21 ' A' ' 59' ' ' VAL . 5.5 tp -63.11 -35.77 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.025 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -99.21 26.62 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -40.63 90.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 173.14 8.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -105.96 29.8 6.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.046 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.599 ' HD3' HG21 ' A' ' 24' ' ' THR . 16.7 mmtt -98.35 -56.46 2.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.655 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.695 HG12 ' HG3' ' A' ' 22' ' ' MET . 29.4 m -46.77 133.42 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.414 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.636 ' HB ' HG22 ' A' ' 23' ' ' THR . 66.7 t -127.47 -38.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.136 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.92 107.15 16.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -110.39 169.46 8.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 86' ' ' LEU . 7.1 tt . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtp . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.638 0.256 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.93 -42.36 3.3 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.571 2.18 . . . . 0.0 112.29 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -115.08 163.18 15.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -119.25 -178.37 3.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -137.19 -75.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.07 -166.23 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.796 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.01 111.41 26.82 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.541 ' O ' HG22 ' A' ' 9' ' ' THR . 78.8 Cg_endo -77.26 -23.48 10.22 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.572 2.181 . . . . 0.0 112.51 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 8' ' ' PRO . 13.7 t 47.48 34.31 3.35 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.116 0.484 . . . . 0.0 110.831 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.732 HG21 ' HB3' ' A' ' 66' ' ' GLU . 19.9 mm -144.77 99.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.922 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.654 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.1 mm -143.05 99.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.502 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -149.27 89.0 4.91 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.809 179.321 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 91.3 Cg_endo -83.73 68.73 6.85 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.312 2.008 . . . . 0.0 112.139 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -139.28 170.87 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.309 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.555 HD13 ' C ' ' A' ' 61' ' ' MET . 4.1 mm? -77.3 115.57 17.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -111.27 141.29 44.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -97.65 146.8 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.756 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -129.42 107.05 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.744 ' HD3' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -78.33 99.91 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.726 HG21 HG12 ' A' ' 76' ' ' ILE . 18.9 t -112.27 120.13 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 56' ' ' SER . 1.8 mm -109.89 134.33 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.153 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.483 ' HG2' HG12 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -112.18 145.85 39.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.761 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.1 p -120.53 69.95 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.657 HG21 ' HD3' ' A' ' 81' ' ' LYS . 1.4 m -144.29 165.24 28.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -102.2 -10.1 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.08 44.13 1.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.002 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.7 p -78.49 -4.97 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 m -50.58 -29.41 10.74 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.763 0.316 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 t -71.42 -30.06 65.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -80.42 -46.15 16.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -58.52 -30.62 67.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -83.12 -27.54 30.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.82 -35.87 22.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 30' ' ' LEU . 10.1 mt -74.93 -29.06 60.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.35 -5.05 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.547 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.4 p -57.4 -46.62 83.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.751 0.31 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.43 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 4.9 m-85 60.3 35.79 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -62.91 -22.5 66.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.411 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -127.96 165.23 31.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.0 71.81 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.557 2.172 . . . . 0.0 112.623 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 37' ' ' TYR . 27.5 p90 -140.1 157.09 46.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.724 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -136.68 165.7 25.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -140.05 131.06 26.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.0 OUTLIER -99.65 94.53 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.957 0.408 . . . . 0.0 110.513 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -59.62 118.25 5.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -76.1 -35.68 59.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -128.19 -178.01 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.9 p -125.4 -50.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -176.79 37.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.03 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -24.12 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.9 m120 62.22 60.03 1.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.37 14.21 32.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.479 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER 78.04 -6.13 2.0 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.817 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 8.5 m-85 -138.49 117.5 12.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 6.5 m-85 -98.14 109.3 22.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.542 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.789 ' HA ' HD12 ' A' ' 21' ' ' ILE . 19.4 m -88.43 126.75 35.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.215 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 55' ' ' TYR . 68.1 m-85 -136.46 137.69 40.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.785 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.432 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 3.1 m-20 -103.76 160.22 14.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.439 HG21 HD13 ' A' ' 76' ' ' ILE . 5.6 t -139.5 113.47 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.376 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.34 101.6 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.759 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.555 ' C ' HD13 ' A' ' 15' ' ' LEU . 13.1 tpt -124.27 154.57 40.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.538 ' HG2' HD21 ' A' ' 15' ' ' LEU . 20.6 mt-10 -76.89 105.9 8.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.58 HG22 HD12 ' A' ' 72' ' ' ILE . 66.9 t -92.98 138.8 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 45.8 m -112.48 -29.14 7.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.82 -172.8 0.55 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.732 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -56.25 -31.71 63.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -54.47 -53.43 54.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.542 ' O ' HG13 ' A' ' 72' ' ' ILE . 9.3 mm-40 -63.56 -51.8 63.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.438 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -45.12 -30.17 1.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.322 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -79.04 -33.09 45.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.694 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.3 tt0 -81.88 -37.85 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.624 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.58 HD12 HG22 ' A' ' 63' ' ' VAL . 4.0 mt -68.88 -28.58 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.454 ' CZ ' HG21 ' A' ' 85' ' ' THR . 16.2 t80 -78.59 -49.4 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -70.5 -29.68 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -48.5 70.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.168 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.726 HG12 HG21 ' A' ' 20' ' ' VAL . 7.0 tp -67.79 -31.14 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.096 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 p -97.02 24.04 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.486 ' OE1' HD12 ' A' ' 79' ' ' LEU . 7.1 tm0? -58.34 -42.8 87.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.486 HD12 ' OE1' ' A' ' 78' ' ' GLN . 6.3 mp -79.82 -178.98 6.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -110.24 29.64 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.657 ' HD3' HG21 ' A' ' 24' ' ' THR . 5.3 mmpt? -96.87 -55.25 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.483 HG12 ' HG2' ' A' ' 22' ' ' MET . 35.4 m -46.12 132.7 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.437 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.761 HG21 ' OG1' ' A' ' 23' ' ' THR . 59.0 t -120.17 -42.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.928 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.04 131.18 56.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.688 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.454 HG21 ' CZ ' ' A' ' 73' ' ' PHE . 8.4 t -132.23 148.3 52.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.687 0.28 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -81.39 53.04 4.53 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.77 2.313 . . . . 0.0 112.643 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t 177.41 177.4 0.34 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.769 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -79.61 121.44 25.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -77.05 -35.56 56.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 148.01 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.616 ' HG3' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -139.22 157.5 70.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 7' ' ' LYS . 31.1 Cg_endo -63.14 74.05 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.693 2.262 . . . . 0.0 112.456 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.616 HG22 ' HG3' ' A' ' 7' ' ' LYS . 6.9 t -142.42 44.52 1.63 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.877 HG21 ' HB3' ' A' ' 66' ' ' GLU . 19.8 mm -124.36 105.33 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.035 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.9 mt -150.1 99.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.647 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -132.37 89.46 36.69 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.37 179.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 92.3 Cg_endo -84.4 68.85 6.33 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.214 1.943 . . . . 0.0 112.147 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.7 p -138.29 169.1 18.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.02 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 62' ' ' GLU . 2.9 mm? -79.12 118.29 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.731 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -118.42 136.98 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -92.32 151.35 20.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.648 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -127.93 107.4 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.068 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 100.04 5.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.909 HG13 HG22 ' A' ' 85' ' ' THR . 21.5 t -114.06 124.32 70.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.47 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.3 mm -111.71 128.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.701 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.845 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.8 mtm -110.79 138.9 46.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.632 HG22 ' HB3' ' A' ' 54' ' ' PHE . 7.7 p -118.21 69.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.586 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.638 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -144.44 153.88 42.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.15 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -99.3 28.19 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -144.61 39.99 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.764 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 p -77.02 -4.8 46.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.531 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -51.01 -26.82 6.61 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.831 0.348 . . . . 0.0 111.017 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 t -77.28 -27.92 53.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.514 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.71 HD13 ' SD ' ' A' ' 22' ' ' MET . 0.2 OUTLIER -83.78 -47.95 10.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -52.73 -27.5 17.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.109 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -89.2 -32.78 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.765 ' O ' HG22 ' A' ' 36' ' ' THR . 3.3 mp -78.05 -28.7 48.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.971 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 43' ' ' LEU . 43.3 mt -84.87 -28.09 26.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -88.08 -18.47 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.36 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 33' ' ' LEU . 13.0 t -51.76 -30.3 22.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.782 0.325 . . . . 0.0 111.031 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 62.21 41.95 10.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' H ' HG23 ' A' ' 36' ' ' THR . 8.8 mm-40 -59.52 -49.87 76.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -112.58 170.64 5.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.686 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 11.9 Cg_exo -71.09 60.29 2.38 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.716 2.277 . . . . 0.0 112.537 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HE2' HD11 ' A' ' 43' ' ' LEU . 2.7 p90 -126.66 141.74 51.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.983 0.421 . . . . 0.0 110.851 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 3.3 tppt? -115.95 157.52 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.643 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.518 HD13 ' HB3' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -129.91 127.44 40.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.42 90.96 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.654 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.72 109.98 1.04 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -68.29 -35.79 78.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.4 ' CB ' ' HG3' ' A' ' 50' ' ' LYS . 13.2 p-10 -126.46 -176.38 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -146.78 -46.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 m -136.29 38.16 2.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HG3' ' CB ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -63.61 -52.09 62.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 m120 59.96 49.73 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 53' ' ' LYS . . . -114.42 26.48 10.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.328 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER 80.11 -48.4 0.34 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.545 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.632 ' HB3' HG22 ' A' ' 23' ' ' THR . 6.6 p90 -104.17 115.83 31.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.782 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.85 109.29 22.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.761 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 18.4 m -72.27 132.49 44.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.478 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -142.77 142.88 32.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.1 161.44 14.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.406 HG21 ' CD1' ' A' ' 76' ' ' ILE . 7.5 t -143.01 109.97 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.323 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -104.42 114.29 28.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.513 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.601 ' C ' HD13 ' A' ' 15' ' ' LEU . 9.5 tpt -134.29 152.75 51.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.007 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.608 ' HA ' HD22 ' A' ' 15' ' ' LEU . 1.7 tt0 -70.0 100.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.589 HG22 HD12 ' A' ' 72' ' ' ILE . 57.8 t -89.9 138.88 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -107.31 -31.15 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.817 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.74 -177.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.877 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -51.73 -30.47 22.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.166 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -55.0 -53.83 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.74 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -65.9 -51.05 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.453 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -43.82 -31.85 0.93 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.65 -33.01 41.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.788 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' GLU . 9.6 tt0 -80.67 -37.81 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.589 HD12 HG22 ' A' ' 63' ' ' VAL . 3.9 mt -68.74 -29.16 42.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.07 -47.97 19.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.246 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -71.95 -30.84 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -68.67 -42.07 78.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.077 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.406 ' CD1' HG21 ' A' ' 59' ' ' VAL . 5.0 tp -72.48 -34.39 48.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 m -97.76 28.15 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -51.94 67.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.93 -176.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.97 30.85 6.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.638 ' HD3' HG21 ' A' ' 24' ' ' THR . 5.0 mmtm -96.68 -52.55 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.845 HG12 ' HG2' ' A' ' 22' ' ' MET . 29.5 m -50.37 140.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.502 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.507 HG21 ' OG1' ' A' ' 23' ' ' THR . 67.5 t -130.9 -42.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.009 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -113.62 106.4 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.909 HG22 HG13 ' A' ' 20' ' ' VAL . 38.1 p -109.88 148.96 30.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.2 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.919 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 9.8 ptm . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.576 0.227 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 1' ' ' MET . 39.9 Cg_endo -67.04 -25.71 43.88 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.375 2.05 . . . . 0.0 112.271 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -60.61 129.32 40.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -138.21 46.1 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -82.08 -43.26 18.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.32 152.41 43.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HG2' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -110.86 139.16 21.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.699 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.439 ' HD2' ' HG2' ' A' ' 7' ' ' LYS . 29.5 Cg_endo -63.33 -31.53 73.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.329 2.019 . . . . 0.0 111.664 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 8.5 t 45.37 58.05 4.44 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.138 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.819 HG21 ' HB3' ' A' ' 66' ' ' GLU . 25.9 mm -105.05 95.29 3.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.807 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.1 mm -143.43 99.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.06 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.736 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.1 p90 -138.54 89.5 13.6 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.728 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.9 Cg_endo -88.28 69.1 3.02 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.557 2.171 . . . . 0.0 112.214 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 p -133.58 -171.99 2.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.865 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 62' ' ' GLU . 4.5 mm? -99.24 107.09 19.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -107.12 148.9 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -101.38 162.02 13.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.443 ' CE2' HG21 ' A' ' 72' ' ' ILE . 93.1 m-85 -134.47 104.72 6.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -80.14 99.81 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.675 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.623 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.4 t -117.46 126.48 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.402 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.5 mm -112.85 129.93 67.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.468 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 1.2 mtt -115.19 143.58 45.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.741 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.772 ' OG1' HG21 ' A' ' 83' ' ' VAL . 6.1 p -120.81 69.84 0.89 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.669 HG21 ' HE3' ' A' ' 81' ' ' LYS . 1.5 m -138.42 149.22 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -96.65 22.94 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -137.68 41.23 2.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.977 0.418 . . . . 0.0 110.472 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -71.53 -8.71 55.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.485 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.432 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 33.1 t -50.18 -33.15 18.25 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -76.6 -28.66 56.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.345 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.563 HD21 HD11 ' A' ' 34' ' ' LEU . 2.7 tp -80.78 -41.94 22.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.76 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 6.4 ptpt -60.3 -21.87 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.23 -33.46 16.16 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.386 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.558 ' C ' HD12 ' A' ' 33' ' ' LEU . 2.2 pp -81.58 -23.04 37.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.228 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.563 HD11 HD21 ' A' ' 30' ' ' LEU . 95.4 mt -81.77 -28.56 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -89.93 -4.77 57.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.431 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 38' ' ' GLN . 12.1 t -47.08 -33.55 5.06 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.752 0.31 . . . . 0.0 111.246 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.24 39.34 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.535 ' H ' HG23 ' A' ' 36' ' ' THR . 4.3 mm-40 -60.97 -55.57 31.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 1.4 ptt85 -112.11 166.88 10.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.649 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 35.2 Cg_endo -65.08 75.1 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.443 2.096 . . . . 0.0 112.391 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -139.18 162.7 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.05 162.75 34.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.763 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -134.27 128.45 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.05 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -96.99 93.6 6.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.76 109.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.807 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -80.72 -36.03 32.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -90.86 104.6 17.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.88 76.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.51 31.2 20.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -39.28 65.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.7 79.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.28 28.11 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.25 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt 80.0 -48.54 0.35 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.471 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CD2' ' CG2' ' A' ' 23' ' ' THR . 2.3 m-85 -104.87 116.2 31.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.802 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -96.05 109.38 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 70.6 m -77.69 134.68 38.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.473 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -141.96 138.68 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.706 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -108.77 157.6 18.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -138.78 114.89 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 112.83 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.7 tpt -137.37 145.4 43.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.655 ' HA ' HD13 ' A' ' 15' ' ' LEU . 11.8 tt0 -69.97 103.84 2.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 92.1 t -89.66 141.78 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.5 m -110.66 -31.24 7.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.775 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.39 179.86 4.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.819 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -56.61 -30.94 63.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -53.8 28.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -67.15 -50.86 59.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -41.86 -38.88 1.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.531 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -74.58 -34.06 62.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.684 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.3 tt0 -76.35 -41.25 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.016 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.0 mt -63.6 -28.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.054 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.416 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -80.47 -51.28 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.167 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -27.09 68.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -74.74 -44.14 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 73' ' ' PHE . 5.8 tp -71.04 -35.43 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.436 ' HB3' HG21 ' A' ' 82' ' ' VAL . 19.1 m -100.22 26.89 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -53.3 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.443 HD12 HD21 ' A' ' 33' ' ' LEU . 4.2 mt -60.84 -179.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.02 31.42 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.669 ' HE3' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -93.76 -47.13 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.8 m -53.38 141.89 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.391 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.772 HG21 ' OG1' ' A' ' 23' ' ' THR . 98.1 t -127.3 -46.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -121.05 106.77 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 p -87.92 154.24 20.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.723 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.966 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 40.7 tpp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 1' ' ' MET . 19.4 Cg_endo -59.25 -73.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.448 2.099 . . . . 0.0 112.372 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 p 61.52 117.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.29 -176.35 2.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -144.35 156.76 44.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.95 166.28 25.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.61 82.93 17.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' O ' HG22 ' A' ' 9' ' ' THR . 67.8 Cg_endo -74.2 -21.06 18.23 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.596 2.198 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 8' ' ' PRO . 9.3 t 46.0 50.26 11.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.967 0.413 . . . . 0.0 111.369 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.89 HG21 ' HB2' ' A' ' 66' ' ' GLU . 24.0 mm -147.31 95.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.694 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.705 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.3 mm -143.57 99.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.083 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.736 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.1 p90 -142.74 89.49 8.09 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.894 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 57.8 Cg_endo -91.67 68.41 1.03 Allowed 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.826 2.351 . . . . 0.0 112.539 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.6 169.0 18.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 61' ' ' MET . 4.0 mm? -70.24 108.85 4.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -106.06 137.4 44.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.91 150.31 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -129.13 110.01 11.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -76.35 101.97 5.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.685 ' C ' HD13 ' A' ' 21' ' ' ILE . 17.0 t -123.72 124.89 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.377 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.5 mm -113.89 140.38 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.566 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -115.56 148.32 39.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.52 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.522 HG22 ' HB ' ' A' ' 83' ' ' VAL . 1.4 t -126.39 69.47 1.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.669 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.643 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -140.35 149.3 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.062 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -15.06 40.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.289 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' O ' HG22 ' A' ' 29' ' ' THR . 31.7 t70 -109.66 45.0 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 24' ' ' THR . 72.5 p -77.82 -4.91 48.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.37 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -52.53 -30.65 31.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 26' ' ' ASP . 2.2 t -71.11 -27.21 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.813 HD12 ' HG3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -80.29 -44.41 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -56.39 -30.62 62.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -85.35 -28.2 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD22 HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -81.03 -38.55 27.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.651 HD11 HD22 ' A' ' 30' ' ' LEU . 16.5 mt -71.93 -30.6 65.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.26 -13.14 60.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.391 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.4 p -55.78 -44.47 77.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 58.8 38.93 24.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.25 -31.51 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.19 167.57 12.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.88 65.35 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.427 2.084 . . . . 0.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -134.17 152.87 52.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -132.24 169.31 16.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.79 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mp -139.94 129.58 24.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.4 94.91 6.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.53 109.91 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.578 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -67.4 -36.38 81.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.172 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -129.72 169.52 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.1 -66.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 p -166.73 33.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.747 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.99 -38.22 8.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -72.46 82.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.8 62.27 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -170.69 -47.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 6.6 m-85 -136.67 116.78 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -87.16 109.2 19.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.709 ' HA ' HD12 ' A' ' 21' ' ' ILE . 23.7 m -90.0 127.91 36.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.008 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -143.46 126.29 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -88.98 162.0 16.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.746 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 t -138.52 110.78 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.456 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -103.45 99.95 9.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.518 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.589 ' C ' HD13 ' A' ' 15' ' ' LEU . 11.9 ttt -120.27 152.56 37.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.71 99.91 2.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.568 HG22 HD12 ' A' ' 72' ' ' ILE . 60.7 t -91.86 138.66 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 23.6 t -109.22 -28.02 9.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.787 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.48 -171.07 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.89 ' HB2' HG21 ' A' ' 10' ' ' ILE . 1.2 tp10 -60.0 -37.69 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.86 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.4 m -49.46 -55.14 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.276 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.534 ' O ' HG13 ' A' ' 72' ' ' ILE . 4.9 mm-40 -62.05 -52.53 63.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.5 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -41.76 -50.21 4.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.548 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -61.2 -32.48 72.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.391 . . . . 0.0 110.654 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.5 tt0 -78.61 -41.3 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.834 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.568 HD12 HG22 ' A' ' 63' ' ' VAL . 3.0 mt -65.05 -25.7 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' CZ ' ' HB ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -77.3 -39.19 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.196 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.15 -36.61 47.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.068 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -62.13 -49.07 77.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.067 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 tp -66.8 -31.07 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.694 ' HA ' HG21 ' A' ' 82' ' ' VAL . 31.2 t -97.25 23.78 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -51.7 68.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.547 HD11 HD22 ' A' ' 33' ' ' LEU . 2.0 mp -59.58 -178.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -110.63 30.86 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.813 ' HG3' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -102.05 -61.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.792 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.694 HG21 ' HA ' ' A' ' 77' ' ' SER . 18.7 m -46.34 133.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.547 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.522 ' HB ' HG22 ' A' ' 23' ' ' THR . 76.3 t -128.48 -37.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -93.92 130.9 39.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 73' ' ' PHE . 72.9 p -132.52 118.02 18.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.706 0.288 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.72 -30.91 17.11 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.513 2.142 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -125.65 107.05 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -117.66 168.99 9.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.08 122.73 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 166.11 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.528 ' HD3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -170.92 158.29 5.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.158 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' O ' ' HB ' ' A' ' 9' ' ' THR . 1.3 Cg_endo -82.95 -52.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 123.094 2.529 . . . . 0.0 111.521 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.461 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 15.2 t -179.32 37.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.911 HG21 ' HB3' ' A' ' 66' ' ' GLU . 19.8 mm -106.8 98.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.528 HD11 ' HD3' ' A' ' 7' ' ' LYS . 14.0 mt -146.79 99.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.652 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -144.64 89.58 6.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.728 179.811 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.503 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.8 Cg_endo -88.01 68.25 3.33 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.56 2.173 . . . . 0.0 112.449 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.03 168.45 21.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD12 ' C ' ' A' ' 61' ' ' MET . 4.0 tp -69.91 120.98 16.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -114.86 138.99 50.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -93.37 148.99 21.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.76 110.86 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.482 HH11 HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -80.64 99.82 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.595 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.84 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.6 t -117.19 124.12 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.373 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.84 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.5 mm -115.4 131.07 68.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.092 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.467 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -111.84 145.41 39.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.759 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.723 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.4 p -120.72 69.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.076 0.465 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -144.16 150.26 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 26.74 4.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.033 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -139.43 37.61 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p -74.52 -6.65 49.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.566 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 23.1 m -52.68 -25.8 11.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.828 0.346 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.867 ' O ' HD12 ' A' ' 33' ' ' LEU . 8.9 t -83.68 -33.55 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.352 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.822 HD13 ' HG ' ' A' ' 79' ' ' LEU . 57.6 tp -80.43 -34.69 35.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -65.4 -29.92 70.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.85 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -84.14 -28.58 27.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.853 179.759 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -76.66 -28.84 56.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -86.35 -29.11 23.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.17 -8.88 59.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.565 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 33' ' ' LEU . 9.0 t -58.07 -38.91 77.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 8.2 m-85 57.79 45.2 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -62.1 -42.15 98.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.751 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 15.2 ptp180 -119.73 167.17 12.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.579 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 32.9 Cg_exo -60.34 75.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.674 2.249 . . . . 0.0 112.572 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CE2' ' HA ' ' A' ' 37' ' ' TYR . 13.3 p90 -140.06 147.14 39.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.638 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -131.34 164.02 26.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' HG ' ' HA ' ' A' ' 59' ' ' VAL . 2.4 mp -140.31 129.94 24.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 2.0 mt-10 -97.57 94.19 6.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.0 0.428 . . . . 0.0 110.387 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -59.47 111.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.925 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -36.22 65.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -114.03 -175.18 2.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.778 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 t -159.86 82.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m 56.5 30.63 17.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.063 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -68.74 -32.84 72.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m120 59.55 79.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.47 20.78 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.294 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 tttt 79.82 -8.28 1.57 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.835 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -140.27 122.58 15.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.994 0.426 . . . . 0.0 111.015 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -105.21 109.08 20.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.426 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.728 ' HA ' HD12 ' A' ' 21' ' ' ILE . 48.5 t -91.38 122.77 34.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.173 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -138.24 128.84 26.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 2.4 m-20 -89.53 160.75 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 76' ' ' ILE . 3.7 t -141.05 116.19 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 111.67 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.518 ' HB3' HD11 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -109.59 125.22 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.372 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.522 ' C ' HD12 ' A' ' 15' ' ' LEU . 7.7 tpt -146.39 150.5 35.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.892 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -72.68 99.99 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.463 HG22 HD12 ' A' ' 72' ' ' ILE . 64.5 t -91.56 141.15 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.0 t -113.42 -29.9 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.049 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.41 -176.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.157 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.911 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -54.4 -29.97 50.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.41 -51.53 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.807 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' HG13 ' A' ' 72' ' ' ILE . 12.1 mm-40 -65.86 -49.96 66.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.469 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.82 -30.29 0.95 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.372 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -83.39 -30.26 27.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' GLU . 4.8 tt0 -83.09 -36.77 24.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.636 ' O ' HG22 ' A' ' 76' ' ' ILE . 4.2 mt -72.51 -30.87 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -76.87 -43.55 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -70.05 -36.88 75.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -61.04 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 72' ' ' ILE . 5.2 tp -56.43 -32.06 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.66 22.35 13.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.775 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -32.0 63.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 0.0 110.752 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.822 ' HG ' HD13 ' A' ' 30' ' ' LEU . 4.0 mm? -63.27 -175.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.27 20.92 11.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -36.2 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.746 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.467 HG12 ' HG3' ' A' ' 22' ' ' MET . 19.1 m -56.45 132.85 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.723 HG21 ' OG1' ' A' ' 23' ' ' THR . 77.1 t -122.42 -40.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -115.02 133.9 55.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -141.11 139.17 33.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.5 tp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.002 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 120.527 0.203 . . . . 0.0 111.328 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 73.1 Cg_endo -75.92 -27.52 8.5 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.499 2.133 . . . . 0.0 112.336 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p -143.51 -168.56 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.54 163.26 31.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.63 -78.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.41 175.27 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -169.5 157.36 6.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 7' ' ' LYS . 19.7 Cg_endo -58.36 -17.28 32.66 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.606 2.204 . . . . 0.0 112.583 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -107.66 76.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 110.804 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.92 HG21 ' HB3' ' A' ' 66' ' ' GLU . 23.3 mm -131.37 91.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 10' ' ' ILE . 11.9 mm -143.85 99.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.028 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -150.14 89.1 4.63 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 94.0 Cg_endo -82.76 62.59 7.83 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.341 2.027 . . . . 0.0 112.162 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.45 173.95 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.146 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 122.32 24.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -119.81 141.46 49.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.8 153.43 21.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -131.12 104.45 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.092 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -72.42 103.28 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.621 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.817 ' C ' HD13 ' A' ' 21' ' ' ILE . 16.1 t -121.91 125.81 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.455 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.817 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.5 mm -114.91 137.94 46.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.619 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -117.07 145.44 43.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.926 0.393 . . . . 0.0 110.761 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.651 ' OG1' HG21 ' A' ' 83' ' ' VAL . 9.6 p -124.57 69.59 1.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.624 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.656 HG21 ' CE ' ' A' ' 81' ' ' LYS . 2.6 m -130.34 154.87 47.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -98.98 28.62 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.834 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -162.09 47.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.728 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -74.31 -7.15 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.426 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.2 p -49.06 -29.43 5.08 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -76.86 -40.94 45.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' HG ' HD11 ' A' ' 34' ' ' LEU . 43.7 tp -75.26 -31.64 60.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.811 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -61.97 -39.08 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -75.98 -29.31 58.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.748 ' O ' HG22 ' A' ' 36' ' ' THR . 2.0 mm? -71.1 -29.23 65.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD11 ' HG ' ' A' ' 30' ' ' LEU . 7.9 mt -90.0 -32.12 16.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.87 -5.21 55.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.507 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 33' ' ' LEU . 11.2 t -73.83 -32.55 63.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.756 0.312 . . . . 0.0 111.01 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 60.73 46.77 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -58.46 -30.08 66.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 3.7 ptp85 -131.13 170.57 10.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.737 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 16.6 Cg_exo -68.2 62.28 1.04 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.647 2.231 . . . . 0.0 112.625 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' HE2' HD11 ' A' ' 43' ' ' LEU . 6.7 p90 -132.33 141.58 49.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.889 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.82 169.86 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.557 HD11 ' HE2' ' A' ' 41' ' ' PHE . 2.1 mp -140.13 129.28 23.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 6.8 mt-10 -97.65 93.42 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.49 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.6 m-30 -59.85 123.7 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -87.6 -35.71 17.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -113.94 -176.66 2.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.8 p -131.15 -85.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -126.08 -10.47 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.677 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -72.73 -59.85 2.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.906 0.384 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -59.65 90.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.06 -31.0 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -80.33 -54.28 5.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.778 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -113.57 113.66 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -97.09 109.38 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.751 ' HA ' HD12 ' A' ' 21' ' ' ILE . 45.1 m -96.65 120.21 36.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.96 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -137.3 140.04 41.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.401 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -99.67 162.73 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.673 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 t -139.15 113.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.408 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.86 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.4 ttt -139.23 153.94 47.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.91 124.04 23.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.935 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 58.5 t -114.27 138.57 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.96 0.41 . . . . 0.0 111.222 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -107.39 -30.27 8.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.59 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.15 -176.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.791 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.92 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -51.5 -28.6 13.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.189 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -57.27 12.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.559 ' O ' HG13 ' A' ' 72' ' ' ILE . 6.0 mm-40 -65.27 -50.8 64.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -40.8 3.17 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.483 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -71.92 -31.42 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.6 tt0 -80.3 -35.82 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.016 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.8 mt -68.66 -28.75 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.724 0.297 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -80.86 -48.64 12.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.315 -179.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -35.64 80.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.123 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -67.52 -48.87 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 73' ' ' PHE . 4.5 tp -64.18 -31.85 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -99.17 24.05 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -65.49 -43.67 89.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.4 -179.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -111.15 31.98 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.656 ' CE ' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER -101.43 -54.96 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.79 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.619 HG12 ' HG3' ' A' ' 22' ' ' MET . 19.8 m -49.88 125.88 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.419 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.651 HG21 ' OG1' ' A' ' 23' ' ' THR . 65.3 t -120.4 -36.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.202 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -118.81 106.05 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.734 HG22 HG13 ' A' ' 20' ' ' VAL . 29.9 p -115.43 151.25 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.833 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 120.601 0.239 . . . . 0.0 111.51 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 60.5 Cg_endo -72.89 -30.51 11.12 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.496 2.131 . . . . 0.0 112.405 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 m -73.33 173.3 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 60.23 -178.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.0 42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.17 136.47 40.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -59.76 156.05 37.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.792 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' O ' ' CG2' ' A' ' 9' ' ' THR . 13.6 Cg_endo -56.58 -52.76 6.29 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.653 2.235 . . . . 0.0 112.152 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 6.4 t 45.61 59.99 3.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.185 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.933 HG21 ' HB3' ' A' ' 66' ' ' GLU . 25.8 mm -121.36 95.6 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.934 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.698 HD13 ' O ' ' A' ' 10' ' ' ILE . 11.9 mm -143.97 99.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.049 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.65 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.3 p90 -147.97 89.31 5.31 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.027 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 59.7 Cg_endo -91.11 68.2 1.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.898 2.399 . . . . 0.0 112.439 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.5 m -149.04 173.83 12.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -70.73 115.07 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -111.1 126.91 55.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -83.63 149.61 26.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.607 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.406 ' OH ' HG21 ' A' ' 63' ' ' VAL . 86.0 m-85 -130.77 100.86 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.052 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.572 ' CD ' HD11 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -73.76 101.54 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.436 179.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.627 ' C ' HD13 ' A' ' 21' ' ' ILE . 19.4 t -116.07 121.95 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.494 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.2 mm -109.3 133.16 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.725 ' CG ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -114.43 143.63 44.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.883 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.647 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.8 p -121.73 69.37 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.6 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.741 HG21 ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -148.98 147.08 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.96 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -86.31 2.98 45.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.373 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.69 38.64 2.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 24' ' ' THR . 61.2 p -76.08 -6.28 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.392 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 p -55.84 -43.98 77.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.769 0.319 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.6 t -69.24 -33.98 74.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.889 HD13 HD21 ' A' ' 79' ' ' LEU . 35.9 tp -77.82 -31.08 51.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.62 -21.68 61.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.28 -28.76 18.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.367 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.65 ' O ' HG22 ' A' ' 36' ' ' THR . 3.0 pp -83.19 -20.91 33.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.492 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD22 HD21 ' A' ' 43' ' ' LEU . 28.7 mt -84.1 -32.88 24.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.918 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -84.32 -4.86 59.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.494 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 33' ' ' LEU . 8.8 t -53.16 -34.06 55.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.805 0.336 . . . . 0.0 111.229 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 58.03 46.78 15.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -69.28 -40.64 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.041 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.63 169.27 12.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.741 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.88 72.61 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.797 2.332 . . . . 0.0 112.437 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -140.13 141.54 36.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 165.44 18.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.799 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.4 HD21 HD22 ' A' ' 34' ' ' LEU . 4.3 mp -134.62 132.46 39.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -100.8 92.11 4.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -59.8 110.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.734 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -57.79 -36.17 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.118 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -141.71 -175.6 4.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.02 -66.76 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 p -129.03 28.78 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -98.81 -24.34 15.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -55.81 91.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.15 -64.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -113.5 -26.68 8.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.309 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -119.0 120.1 36.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.845 0.355 . . . . 0.0 111.294 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -98.13 109.08 21.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.489 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.684 ' HA ' HD12 ' A' ' 21' ' ' ILE . 71.4 m -87.07 136.26 32.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.359 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -149.19 120.3 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.602 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -87.75 157.73 18.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.967 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.449 HG21 HD13 ' A' ' 76' ' ' ILE . 4.5 t -139.54 110.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.53 108.47 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.474 ' C ' HD23 ' A' ' 15' ' ' LEU . 12.9 ttt -132.05 152.32 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.39 117.47 16.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.445 HG22 HD12 ' A' ' 72' ' ' ILE . 61.9 t -108.86 144.94 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.482 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -114.8 -31.65 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.23 -176.86 2.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.933 ' HB3' HG21 ' A' ' 10' ' ' ILE . 7.4 pt-20 -54.99 -30.21 58.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -56.21 14.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.6 mt-10 -64.47 -48.8 73.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.538 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -44.46 -34.52 2.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.367 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -79.22 -30.88 43.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.3 tt0 -81.66 -36.63 28.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.2 mt -69.48 -29.74 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.248 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -54.73 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -59.36 -30.01 68.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.097 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -70.96 -53.14 15.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.449 HD13 HG21 ' A' ' 59' ' ' VAL . 2.9 tp -64.55 -36.58 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -99.23 27.36 5.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -63.5 -55.17 26.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.889 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -57.42 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -116.92 52.21 0.96 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.741 ' CE ' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER -123.0 -58.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.725 HG12 ' CG ' ' A' ' 22' ' ' MET . 34.9 m -44.18 143.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.685 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.647 HG21 ' OG1' ' A' ' 23' ' ' THR . 67.9 t -122.85 -49.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.185 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.402 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -91.31 128.82 37.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 p -136.28 120.32 17.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.955 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 120.557 0.218 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -81.53 56.15 5.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.537 2.158 . . . . 0.0 112.395 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -132.91 117.03 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.58 -178.22 3.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -101.92 -51.92 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.23 170.17 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.99 154.89 49.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.755 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.531 ' O ' HG22 ' A' ' 9' ' ' THR . 23.8 Cg_endo -61.55 -36.95 73.71 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.496 2.131 . . . . 0.0 112.278 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 8' ' ' PRO . 14.2 t 47.8 46.6 18.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.26 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.892 HG21 ' HB2' ' A' ' 66' ' ' GLU . 24.5 mm -111.01 96.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.751 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.706 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.2 mm -143.8 99.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.203 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.674 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -142.05 89.55 8.74 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.809 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.9 Cg_endo -89.35 68.2 2.32 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.732 2.288 . . . . 0.0 112.583 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.25 163.25 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 120.05 15.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -116.08 140.43 49.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.97 151.08 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -130.87 103.16 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.993 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -70.95 103.92 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.76 HG13 HG22 ' A' ' 85' ' ' THR . 21.7 t -121.85 120.53 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.511 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.79 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.9 mm -115.62 138.27 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.745 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.653 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.9 153.21 36.2 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.003 0.43 . . . . 0.0 110.762 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.617 HG22 ' HB ' ' A' ' 83' ' ' VAL . 1.8 t -131.16 69.11 1.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.285 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.442 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -143.94 150.79 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.142 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -98.32 26.35 5.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -139.2 39.86 2.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 p -76.03 -5.18 45.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.464 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -52.14 -26.36 11.17 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.801 0.334 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.579 HG23 ' CD1' ' A' ' 79' ' ' LEU . 9.7 t -80.94 -30.89 35.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD23 ' HE2' ' A' ' 22' ' ' MET . 11.0 tp -82.79 -41.69 18.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.878 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -30.48 64.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -85.46 -31.22 22.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.787 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.632 ' O ' HG22 ' A' ' 36' ' ' THR . 1.3 mm? -76.59 -28.07 56.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -87.74 -36.45 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -75.54 -7.32 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.339 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 33' ' ' LEU . 12.5 t -58.97 -37.39 76.69 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.799 0.333 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 59.8 47.73 9.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -61.47 -59.33 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER -107.98 170.8 5.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.526 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 29.1 Cg_exo -62.36 74.8 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.612 2.208 . . . . 0.0 112.344 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -140.03 146.64 39.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.878 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.05 169.98 16.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.762 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HG ' HG13 ' A' ' 59' ' ' VAL . 3.3 mp -139.88 139.13 36.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -100.58 97.05 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.439 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -59.79 115.59 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.033 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -89.94 -35.8 15.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -120.11 97.76 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.02 -32.17 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.45 33.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -77.04 -50.2 13.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 59.87 92.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.04 26.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.241 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 78.46 -5.62 2.03 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.761 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 10.5 m-85 -138.78 118.02 12.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -92.45 109.13 20.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.79 ' HA ' HD12 ' A' ' 21' ' ' ILE . 72.2 m -89.1 128.88 35.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.289 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -145.05 126.01 14.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.673 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 44' ' ' GLU . 3.7 t-20 -91.16 161.49 15.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.905 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.49 HG13 ' HG ' ' A' ' 43' ' ' LEU . 2.2 t -139.36 120.32 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.281 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.04 113.24 25.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.627 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.413 ' HB3' HD13 ' A' ' 72' ' ' ILE . 5.0 ttt -134.17 150.83 51.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.082 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.19 107.07 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 61.5 t -95.73 139.51 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -110.65 -27.86 8.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.875 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -178.18 1.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.892 ' HB2' HG21 ' A' ' 10' ' ' ILE . 23.4 tt0 -54.98 -36.73 65.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -48.15 -52.12 22.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.56 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.6 mt-10 -64.79 -50.13 67.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.564 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -35.93 1.62 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.219 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.07 -31.7 56.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.738 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' GLU . 28.8 tt0 -80.02 -38.44 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.924 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 68' ' ' GLU . 3.6 mt -68.61 -26.92 34.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.349 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -80.25 -41.24 25.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.415 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 17.1 pt20 -74.31 -38.44 63.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.079 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 5.6 ptpt -64.2 -41.8 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.162 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 5.5 tp -69.51 -38.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.067 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.481 ' CB ' HG21 ' A' ' 82' ' ' VAL . 84.8 p -99.08 28.71 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -37.68 84.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.579 ' CD1' HG23 ' A' ' 29' ' ' THR . 0.8 OUTLIER -73.47 -175.8 2.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.955 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.7 30.43 7.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.063 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.485 ' O ' HG23 ' A' ' 83' ' ' VAL . 6.4 mmpt? -98.87 -58.03 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.77 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.653 HG12 ' HG3' ' A' ' 22' ' ' MET . 35.8 m -48.02 129.26 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.541 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.617 ' HB ' HG22 ' A' ' 23' ' ' THR . 91.4 t -124.09 -36.93 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.068 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -109.86 106.88 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.76 HG22 HG13 ' A' ' 20' ' ' VAL . 77.9 p -120.65 153.69 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.857 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.541 ' H3 ' ' HD2' ' A' ' 2' ' ' PRO . 4.5 mmt . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 120.565 0.222 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.541 ' HD2' ' H3 ' ' A' ' 1' ' ' MET . 67.8 Cg_endo -74.39 -23.85 14.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.459 2.106 . . . . 0.0 112.557 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -137.55 -69.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.72 -171.9 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.186 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.55 76.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -137.48 178.85 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.866 ' HE2' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -124.03 95.78 43.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.6 -19.8 27.64 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.502 2.134 . . . . 0.0 112.663 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.866 HG22 ' HE2' ' A' ' 7' ' ' LYS . 13.2 t -90.21 49.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.95 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.919 HG21 ' HB2' ' A' ' 66' ' ' GLU . 31.4 mm -147.89 97.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 10' ' ' ILE . 11.5 mm -144.23 99.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.155 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.748 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.7 p90 -147.11 89.5 5.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.806 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 60.1 Cg_endo -91.49 68.45 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.809 2.339 . . . . 0.0 112.524 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -143.41 163.2 33.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 118.73 17.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.4 t-105 -114.82 144.24 43.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -92.74 152.33 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -132.31 101.42 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.575 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -77.72 99.96 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.638 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.689 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.8 t -116.06 126.54 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.257 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.689 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.8 mm -110.4 138.16 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.465 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -116.65 145.51 43.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.714 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.611 ' OG1' HG21 ' A' ' 83' ' ' VAL . 6.0 p -122.17 69.8 0.96 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.77 HG21 ' CD ' ' A' ' 81' ' ' LYS . 2.7 m -132.58 156.97 45.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 27.7 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.548 ' O ' HG22 ' A' ' 29' ' ' THR . 0.7 OUTLIER -155.42 49.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -70.91 -9.8 58.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.501 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 16.0 m -51.14 -26.44 6.68 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.861 0.362 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 26' ' ' ASP . 3.4 t -75.99 -28.59 57.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.595 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -80.34 -45.0 18.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.664 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' SER . 49.2 pttt -57.08 -22.93 43.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 1.4 pt-20 -90.2 -30.73 17.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.717 ' O ' HG22 ' A' ' 36' ' ' THR . 1.7 pp -87.15 -23.11 24.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.074 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.617 HD22 HD21 ' A' ' 43' ' ' LEU . 59.8 mt -85.94 -28.24 24.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -90.06 -4.9 57.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.579 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 33' ' ' LEU . 9.8 t -59.49 -40.28 86.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.695 0.283 . . . . 0.0 111.053 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 58.13 44.43 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.074 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -56.63 -38.71 72.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -125.55 171.18 8.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.332 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.448 ' CD ' ' HB2' ' A' ' 39' ' ' ARG . 27.3 Cg_exo -63.08 71.37 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.0 112.526 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 39' ' ' ARG . 19.2 p90 -137.8 142.11 40.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' C ' HD12 ' A' ' 43' ' ' LEU . 20.8 mttp -122.11 169.52 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.617 HD21 HD22 ' A' ' 34' ' ' LEU . 4.8 mp -140.14 139.04 35.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.043 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -105.05 91.76 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.456 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.83 118.01 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.047 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.3 -35.74 30.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.719 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -121.96 147.76 45.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -128.45 97.38 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 m 57.16 40.4 28.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.033 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -84.46 -37.38 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 59.31 50.6 7.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.42 24.8 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.45 -49.11 0.4 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.451 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.47 107.66 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -88.45 109.5 20.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.646 ' CB ' HD12 ' A' ' 21' ' ' ILE . 9.3 t -87.31 135.09 33.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 56' ' ' SER . 26.8 m-85 -147.6 130.81 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.08 162.65 13.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.42 HG21 HD13 ' A' ' 76' ' ' ILE . 4.1 t -141.11 112.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.425 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.87 110.81 23.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.408 ' HB3' HD13 ' A' ' 72' ' ' ILE . 9.2 tpt -133.83 154.37 51.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -74.89 105.69 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.588 HG22 HD12 ' A' ' 72' ' ' ILE . 57.8 t -94.69 139.07 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.9 m -112.52 -29.1 7.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.5 -176.81 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.915 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.919 ' HB2' HG21 ' A' ' 10' ' ' ILE . 10.6 tt0 -56.8 -37.27 70.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.36 -50.95 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.521 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.8 mt-10 -67.2 -52.74 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -44.32 -31.14 0.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.338 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -80.01 -32.39 39.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -82.18 -34.97 28.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.741 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.588 HD12 HG22 ' A' ' 63' ' ' VAL . 4.0 mt -70.21 -29.65 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.171 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.97 -45.62 16.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.074 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.6 -39.71 77.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -60.62 -49.41 77.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 59' ' ' VAL . 5.9 tp -65.41 -35.54 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.925 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.416 ' CB ' HG21 ' A' ' 82' ' ' VAL . 58.7 m -99.85 26.48 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -67.85 -36.83 81.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.46 -177.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -112.42 30.96 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.77 ' CD ' HG21 ' A' ' 24' ' ' THR . 25.9 mmtt -102.55 -48.35 4.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 31.3 m -53.08 139.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.384 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.611 HG21 ' OG1' ' A' ' 23' ' ' THR . 94.4 t -128.34 -43.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.997 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.84 126.51 53.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.402 ' C ' HD12 ' A' ' 86' ' ' LEU . 20.3 p -117.13 143.99 45.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 85' ' ' THR . 8.9 mp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.64 0.257 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.26 -35.9 10.38 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.537 2.158 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.1 p -91.51 145.28 24.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -118.66 160.35 21.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -165.32 -44.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -72.7 159.6 33.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.74 167.48 12.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' O ' ' HB ' ' A' ' 9' ' ' THR . 26.8 Cg_endo -94.46 -75.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 123.392 2.728 . . . . 0.0 111.724 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 8' ' ' PRO . 1.2 t 161.97 80.57 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.886 HG21 ' HB3' ' A' ' 66' ' ' GLU . 22.8 mm -140.86 90.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 111.195 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 10' ' ' ILE . 11.6 mm -144.55 99.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.935 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.587 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -150.1 89.35 4.6 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 61.2 Cg_endo -90.48 65.76 1.68 Allowed 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.744 2.296 . . . . 0.0 112.474 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.0 m -143.8 -178.74 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.038 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 61' ' ' MET . 0.2 OUTLIER -86.35 113.51 22.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.007 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -103.55 156.39 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 4.3 p-10 -111.96 154.39 25.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -137.04 121.63 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.148 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 tpp85 -88.29 99.59 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.672 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.1 t -115.01 129.47 71.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.653 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.672 HD13 ' C ' ' A' ' 20' ' ' VAL . 3.0 mm -118.04 141.94 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.679 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.858 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.7 mtt -118.81 141.42 48.65 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 111.052 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.705 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.2 p -120.77 69.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.646 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.899 HG21 ' HD3' ' A' ' 81' ' ' LYS . 5.8 m -142.88 152.02 41.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.018 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -98.99 28.14 4.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -150.02 47.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.6 p -76.47 -5.04 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.425 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -50.32 -27.87 6.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.84 0.353 . . . . 0.0 111.144 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -77.55 -29.0 52.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.727 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.563 HD12 ' HG3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -81.55 -43.92 18.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.946 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -52.97 -32.21 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.923 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -86.81 -29.2 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 36' ' ' THR . 1.5 mm? -77.8 -33.6 52.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.2 mt -83.94 -33.45 24.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -77.4 -4.97 48.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.422 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 33' ' ' LEU . 11.0 t -57.44 -37.73 73.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.876 0.369 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 41' ' ' PHE . 6.7 m-85 58.98 46.96 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -57.8 -45.68 85.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.651 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -121.2 167.2 13.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.489 179.651 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 23.5 Cg_endo -61.8 75.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.48 2.12 . . . . 0.0 112.55 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 39' ' ' ARG . 23.6 p90 -140.08 158.09 44.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -140.07 167.56 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.366 . . . . 0.0 111.069 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -135.89 129.71 32.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.783 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.84 96.82 9.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.888 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -59.8 120.81 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -36.13 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.995 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.477 ' O ' HG23 ' A' ' 48' ' ' THR . 2.5 p-10 -100.61 -179.12 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 47' ' ' ASN . 0.8 OUTLIER -160.41 54.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 m 60.41 38.42 19.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -81.42 -1.52 45.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.37 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m120 60.26 69.06 0.72 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.846 0.355 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.54 10.18 11.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.611 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? 77.9 -49.34 0.49 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 111.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -105.31 117.63 34.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.625 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -95.37 109.3 21.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.66 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 21' ' ' ILE . 14.6 t -78.42 135.82 37.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.138 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -142.09 124.56 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.716 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -91.68 165.69 13.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.453 HG21 HD13 ' A' ' 76' ' ' ILE . 42.6 t -141.37 138.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.063 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 m -135.93 113.05 10.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.63 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.857 ' HG3' HD13 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -145.06 167.23 23.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.165 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -85.67 133.06 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG11 ' HD2' ' A' ' 69' ' ' ARG . 60.5 t -122.81 140.77 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.646 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 31.5 t -113.46 -25.39 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.349 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.37 -175.35 0.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.876 0.369 . . . . 0.0 111.117 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.886 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -57.28 -33.93 68.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -51.16 -57.2 9.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.4 mt-10 -61.82 -52.17 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.076 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.485 ' HD2' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -42.57 -52.91 4.62 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.468 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.84 -30.06 67.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -37.75 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.857 HD13 ' HG3' ' A' ' 61' ' ' MET . 4.0 mt -68.0 -30.55 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.02 -57.58 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.091 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.15 -29.64 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.8 -56.67 10.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.581 HG12 HG21 ' A' ' 20' ' ' VAL . 5.8 tp -62.55 -31.09 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m -97.43 22.52 8.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -60.54 -52.31 65.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 79' ' ' LEU . 3.5 mm? -64.8 172.2 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -108.88 32.63 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.899 ' HD3' HG21 ' A' ' 24' ' ' THR . 12.5 mmtm -105.69 -55.69 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.794 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.858 HG12 ' HG2' ' A' ' 22' ' ' MET . 34.8 m -44.45 135.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.595 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.705 HG21 ' OG1' ' A' ' 23' ' ' THR . 60.6 t -119.33 -45.39 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -97.21 120.34 37.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -123.31 132.34 53.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 86' ' ' LEU . 1.7 tt . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.007 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.7 0.286 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.54 -26.97 69.75 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.572 2.181 . . . . 0.0 112.182 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -74.27 173.43 10.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.15 158.35 44.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.59 -175.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.86 134.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.04 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 91.6 10.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' O ' ' CG2' ' A' ' 9' ' ' THR . 52.4 Cg_endo -69.3 -30.81 23.8 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.562 2.175 . . . . 0.0 112.472 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 9.6 t 45.09 55.03 6.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.38 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.903 HG21 ' HB3' ' A' ' 66' ' ' GLU . 13.7 mm -140.14 96.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.799 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.1 mm -143.33 99.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.718 ' CE2' HG23 ' A' ' 10' ' ' ILE . 5.9 p90 -143.62 89.72 7.35 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.828 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 63.5 Cg_endo -89.15 68.43 2.42 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.543 2.162 . . . . 0.0 112.58 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.03 165.11 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.824 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 109.85 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -106.02 138.12 42.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.07 151.42 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -128.85 103.79 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.039 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 100.12 4.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.499 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.788 HG13 HG22 ' A' ' 85' ' ' THR . 18.3 t -121.15 126.1 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.573 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.676 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.8 mm -111.05 141.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.634 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -118.92 141.6 48.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.587 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.496 ' CG2' HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -123.78 69.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.464 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.782 HG21 ' CD ' ' A' ' 81' ' ' LYS . 2.1 m -136.56 152.37 50.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.209 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -88.81 -14.15 37.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.222 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 24' ' ' THR . 1.1 t70 -110.97 49.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 p -77.51 -5.0 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.418 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -26.05 36.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.825 0.345 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.604 ' O ' HD13 ' A' ' 33' ' ' LEU . 10.2 t -80.44 -33.48 36.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.412 . . . . 0.0 110.505 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.661 ' HG ' HD11 ' A' ' 34' ' ' LEU . 46.8 tp -80.74 -40.84 24.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -30.42 69.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 36' ' ' THR . 11.9 pt-20 -83.7 -29.65 27.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 29' ' ' THR . 3.1 mp -72.17 -37.23 69.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.748 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.661 HD11 ' HG ' ' A' ' 30' ' ' LEU . 3.6 mt -76.02 -31.75 59.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.1 -8.11 55.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.361 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 32' ' ' GLU . 81.8 p -58.6 -44.92 90.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 56.18 35.44 25.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.22 -31.33 71.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -116.67 170.68 5.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.721 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 64.9 Cg_endo -74.03 59.02 4.33 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.519 2.146 . . . . 0.0 112.236 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -121.96 153.28 38.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -128.67 165.46 20.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.619 HD21 HD22 ' A' ' 34' ' ' LEU . 1.9 mp -140.0 130.97 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -100.58 90.4 4.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.98 109.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -60.55 -35.83 76.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -137.34 176.92 8.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.9 -48.42 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -173.64 34.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -43.26 6.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.81 91.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.21 51.27 2.0 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 7.9 mttp -161.59 -50.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 53' ' ' LYS . 7.7 m-85 -136.13 118.18 15.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -86.64 109.26 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.647 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.66 ' HA ' HD12 ' A' ' 21' ' ' ILE . 72.8 m -89.6 123.27 33.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -137.11 130.3 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.5 163.1 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.509 HG21 HD13 ' A' ' 76' ' ' ILE . 3.9 t -140.16 111.71 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.236 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.0 m -105.39 108.66 20.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.5 tpt -131.13 154.81 47.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.61 100.52 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.616 HG22 HD12 ' A' ' 72' ' ' ILE . 43.9 t -90.01 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 7.5 t -113.86 -28.73 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.09 -169.0 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.036 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.903 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -59.75 -36.41 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -51.7 -51.66 54.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.3 mt-10 -68.05 -53.08 28.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -31.36 0.93 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.373 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.67 -31.23 36.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.745 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.7 tt0 -81.9 -36.83 27.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.616 HD12 HG22 ' A' ' 63' ' ' VAL . 4.4 mt -69.88 -30.58 44.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.52 ' O ' HG22 ' A' ' 76' ' ' ILE . 53.5 t80 -77.36 -43.63 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.039 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -69.31 -30.34 68.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -67.59 -42.71 82.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 73' ' ' PHE . 5.4 tp -71.39 -30.94 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.965 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.449 ' HA ' HG21 ' A' ' 82' ' ' VAL . 5.9 t -99.5 26.34 6.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.769 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -35.52 78.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -176.89 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.27 29.77 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.782 ' CD ' HG21 ' A' ' 24' ' ' THR . 18.9 mmtm -98.59 -61.39 1.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.634 HG12 ' HG3' ' A' ' 22' ' ' MET . 31.1 m -45.42 134.93 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.532 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.496 HG21 ' CG2' ' A' ' 23' ' ' THR . 75.0 t -127.69 -39.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.99 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.7 132.3 46.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.788 HG22 HG13 ' A' ' 20' ' ' VAL . 9.9 p -140.59 137.93 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.964 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.722 0.296 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.99 61.39 3.88 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.654 2.236 . . . . 0.0 112.27 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -174.37 177.15 2.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -79.96 154.62 28.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -129.49 -45.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -69.96 170.74 10.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.76 ' HG3' HG22 ' A' ' 9' ' ' THR . 3.3 ptmt -59.02 157.54 20.65 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 7' ' ' LYS . 29.3 Cg_endo -61.76 74.4 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.801 2.334 . . . . 0.0 112.497 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.76 HG22 ' HG3' ' A' ' 7' ' ' LYS . 10.2 t -146.34 73.2 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.698 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.828 HG23 ' CE2' ' A' ' 12' ' ' TYR . 25.8 mm -131.08 100.24 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.256 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 10' ' ' ILE . 11.1 mm -144.74 99.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.159 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.828 ' CE2' HG23 ' A' ' 10' ' ' ILE . 2.4 p90 -148.48 89.46 5.1 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 61.0 Cg_endo -90.57 68.43 1.54 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.724 2.283 . . . . 0.0 112.536 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.38 174.34 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.794 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 61' ' ' MET . 0.2 OUTLIER -79.19 120.92 24.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.402 ' O ' ' HE1' ' A' ' 61' ' ' MET . 14.5 t-105 -112.58 161.21 17.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.7 141.79 47.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.43 ' CE2' ' CE ' ' A' ' 61' ' ' MET . 46.6 m-85 -127.01 116.44 20.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.148 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.573 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -80.1 100.21 8.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.531 179.602 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.814 ' C ' HD13 ' A' ' 21' ' ' ILE . 21.7 t -110.85 125.24 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.418 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.814 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.3 mm -113.92 135.53 53.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.46 143.77 47.34 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.975 0.417 . . . . 0.0 110.581 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.507 ' CG2' HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -124.44 69.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.448 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.782 HG21 ' HD3' ' A' ' 81' ' ' LYS . 1.8 m -132.68 152.39 51.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.65 26.58 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -150.14 48.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.645 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -75.5 -5.66 46.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.52 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.1 m -53.36 -27.21 22.51 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.88 0.371 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -81.18 -32.55 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.393 . . . . 0.0 110.382 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 79' ' ' LEU . 12.5 tp -81.0 -42.51 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -54.45 -34.8 62.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.01 -31.05 31.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.824 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.713 ' O ' HG22 ' A' ' 36' ' ' THR . 4.1 mp -79.06 -25.59 43.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.596 ' HB3' HD22 ' A' ' 43' ' ' LEU . 97.0 mt -88.26 -30.49 19.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.02 -11.06 48.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.358 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 33' ' ' LEU . 10.2 t -56.45 -34.87 67.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 58.34 48.02 13.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -56.75 -47.52 79.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.766 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -112.93 167.19 9.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 35.4 Cg_endo -65.27 73.19 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.505 2.136 . . . . 0.0 112.432 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.407 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 27.9 p90 -140.02 160.91 38.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.707 ' O ' HD12 ' A' ' 43' ' ' LEU . 1.5 mtmp? -136.09 157.96 45.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 42' ' ' LYS . 8.8 mp -130.19 120.71 24.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -96.43 89.85 5.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.663 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.23 136.58 58.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.424 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -84.13 -36.45 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.957 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -127.5 137.22 52.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -79.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.1 p -162.56 30.86 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.782 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -91.7 -34.97 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.783 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -72.5 92.61 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.76 53.53 2.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.16 -47.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -140.06 113.17 8.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -93.92 109.37 21.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.647 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.724 ' CB ' HD12 ' A' ' 21' ' ' ILE . 36.8 m -99.64 130.53 45.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.374 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.625 ' CZ ' HD11 ' A' ' 76' ' ' ILE . 26.5 p90 -144.8 169.88 17.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.05 164.1 17.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.055 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.654 HG13 HD11 ' A' ' 43' ' ' LEU . 21.2 t -136.35 109.86 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -106.66 110.52 22.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.724 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.793 ' CG ' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -140.55 171.93 13.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.85 133.38 37.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 63.1 t -130.83 139.78 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 62.2 m -112.75 -29.28 7.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -175.58 -176.07 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.067 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.708 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -53.56 -29.61 37.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.043 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -55.35 20.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.578 ' O ' HG13 ' A' ' 72' ' ' ILE . 4.2 mt-10 -63.76 -50.35 69.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.36 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -44.71 -32.1 1.4 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.37 -31.65 48.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.4 tt0 -82.48 -34.97 27.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.793 HD13 ' CG ' ' A' ' 61' ' ' MET . 5.1 mt -71.49 -25.96 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.269 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -42.29 23.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.323 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 1.0 OUTLIER -72.03 -24.92 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.19 -179.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -49.66 21.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.057 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.625 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 3.4 tp -68.3 -29.69 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.944 0.402 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 t -99.57 24.56 8.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.769 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -59.49 -36.84 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -89.71 -176.8 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -110.23 37.16 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.004 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.782 ' HD3' HG21 ' A' ' 24' ' ' THR . 2.1 mmtp -98.33 -61.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.791 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 30.8 m -46.37 135.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.608 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.507 HG21 ' CG2' ' A' ' 23' ' ' THR . 65.0 t -129.41 -39.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.145 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.79 105.26 11.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -119.11 154.29 33.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.649 ' OXT' HD23 ' A' ' 86' ' ' LEU . 8.2 tt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.965 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.77 0.319 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.4 -46.08 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.589 2.193 . . . . 0.0 112.364 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.45 124.95 50.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.5 -177.05 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -70.63 -30.24 66.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -100.49 131.67 46.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 87.78 3.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' O ' ' CG2' ' A' ' 9' ' ' THR . 56.8 Cg_endo -70.62 -26.97 22.94 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.594 2.196 . . . . 0.0 112.568 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 9.7 t 44.74 53.92 6.99 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.252 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.861 HG21 ' HB3' ' A' ' 66' ' ' GLU . 14.6 mm -145.33 98.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.793 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.721 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.3 mm -143.39 99.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -140.24 89.6 10.81 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.82 179.323 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 65.2 Cg_endo -88.65 68.4 2.8 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.666 2.244 . . . . 0.0 112.472 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.05 164.76 29.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD23 ' C ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -73.18 117.27 14.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -115.0 133.51 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.04 153.43 21.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -131.57 105.52 7.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.155 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.07 101.6 4.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.734 ' C ' HD13 ' A' ' 21' ' ' ILE . 19.9 t -120.1 126.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.434 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.7 mm -112.43 144.87 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.753 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.859 ' HG2' HG12 ' A' ' 82' ' ' VAL . 2.5 mtt -121.11 141.52 50.72 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.838 0.351 . . . . 0.0 110.509 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' HB ' ' A' ' 83' ' ' VAL . 1.4 t -124.43 69.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.428 HG21 ' CE ' ' A' ' 81' ' ' LYS . 1.7 m -139.22 155.31 47.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.042 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.32 28.61 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.84 31.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.3 p -71.15 -10.33 59.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.348 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.4 p -49.25 -32.27 10.38 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.749 0.309 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.501 ' O ' HD23 ' A' ' 33' ' ' LEU . 9.9 t -64.11 -30.09 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.59 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.06 -39.16 56.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.679 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -54.05 -25.84 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.043 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 36' ' ' THR . 2.9 mm-40 -85.1 -41.38 15.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.061 0.457 . . . . 0.0 110.419 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 29' ' ' THR . 4.1 mm? -71.31 -30.82 66.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.59 HD11 HD22 ' A' ' 30' ' ' LEU . 10.1 mt -82.73 -34.16 27.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -75.26 -8.14 55.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.537 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 32' ' ' GLU . 46.1 p -51.07 -48.35 61.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m-85 61.75 31.67 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -56.82 -37.36 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.68 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.57 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 6.4 ptt85 -117.76 163.18 25.37 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.077 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.57 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 28.7 Cg_endo -63.04 70.48 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.374 2.049 . . . . 0.0 112.483 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' ARG . 12.3 p90 -133.15 142.82 48.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.428 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -127.72 165.33 20.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.001 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 42' ' ' LYS . 5.4 mp -137.73 132.11 32.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -101.06 93.09 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.621 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' A' ' 57' ' ' PHE . 3.4 m-85 -59.68 119.7 8.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.015 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 10.7 mmmt -73.47 -35.79 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -131.36 132.33 44.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.5 m -99.16 -31.7 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.748 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.2 m -161.4 31.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -41.18 60.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.85 62.92 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.65 28.66 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.296 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 78.23 -48.71 0.47 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.4 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.77 121.18 43.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.341 . . . . 0.0 110.628 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -82.02 109.15 16.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.691 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 46.4 m -91.1 123.42 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CD2' ' CD1' ' A' ' 45' ' ' PHE . 19.4 m-85 -136.54 139.0 41.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 21.8 m-80 -102.58 160.47 14.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.801 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 76' ' ' ILE . 2.8 t -139.4 112.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.252 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.81 110.31 22.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.596 ' C ' HD23 ' A' ' 15' ' ' LEU . 10.9 tpt -131.81 152.33 51.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -76.06 106.74 7.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.674 HG22 HD12 ' A' ' 72' ' ' ILE . 93.6 t -94.54 141.29 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.1 m -110.22 -30.42 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.99 -177.21 1.85 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.836 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.861 ' HB3' HG21 ' A' ' 10' ' ' ILE . 8.0 pt-20 -54.55 -33.91 60.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.34 -55.63 17.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.538 ' O ' HG13 ' A' ' 72' ' ' ILE . 2.1 mt-10 -60.39 -50.4 73.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.453 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -45.27 -30.45 1.24 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -79.16 -31.32 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.744 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' GLU . 3.6 tt0 -84.85 -33.06 22.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.772 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.674 HD12 HG22 ' A' ' 63' ' ' VAL . 5.2 mt -74.99 -28.8 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -79.71 -37.37 35.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -78.67 -28.09 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.029 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -69.32 -46.26 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.585 HD13 HG21 ' A' ' 59' ' ' VAL . 6.0 tp -68.8 -37.26 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.4 28.52 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.09 -35.8 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mp -82.18 -177.34 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.25 -21.31 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.428 ' CE ' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -49.72 -63.92 0.96 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.859 HG12 ' HG2' ' A' ' 22' ' ' MET . 34.9 m -45.73 147.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.449 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' A' ' 23' ' ' THR . 53.7 t -132.19 -48.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.008 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.41 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 28.5 tp60 -94.04 122.84 36.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.961 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 t -144.9 99.87 3.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.7 tp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.852 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' CB ' ' CD ' ' A' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 120.571 0.224 . . . . 0.0 111.476 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 1' ' ' MET . 59.1 Cg_endo -72.3 -27.93 15.79 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.449 2.1 . . . . 0.0 112.35 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.88 114.59 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -114.24 163.52 15.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -170.39 136.75 1.37 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -151.75 -178.1 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.724 ' HG3' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -107.89 103.81 51.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -83.54 14.81 2.28 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.693 2.262 . . . . 0.0 113.037 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.724 HG22 ' HG3' ' A' ' 7' ' ' LYS . 5.2 t -62.14 -17.79 58.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.378 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.786 HG21 ' HB3' ' A' ' 66' ' ' GLU . 26.4 mm -146.86 96.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.39 . . . . 0.0 111.117 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.3 mt -149.23 99.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.864 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.596 ' CE2' HG23 ' A' ' 10' ' ' ILE . 3.5 p90 -142.51 89.45 8.33 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.772 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 57.9 Cg_endo -89.09 68.93 2.42 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.598 2.199 . . . . 0.0 112.265 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.3 p -138.35 167.92 20.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.72 109.69 14.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -107.89 142.46 37.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.19 155.22 17.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.683 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -136.53 107.43 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.677 ' HB2' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -78.77 101.05 7.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.957 HG13 HG22 ' A' ' 85' ' ' THR . 24.7 t -114.05 118.55 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.4 mm -102.61 131.98 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.073 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.468 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -110.68 144.78 39.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.853 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.753 ' OG1' HG21 ' A' ' 83' ' ' VAL . 7.3 p -119.42 70.01 0.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.975 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.492 HG21 ' HE2' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -144.54 156.57 44.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 -15.68 20.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.247 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -111.12 46.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.961 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.5 p -77.81 -4.98 49.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.346 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.405 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 9.3 m -50.81 -33.69 24.55 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -74.35 -30.83 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.736 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 47.1 tp -82.21 -35.97 27.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 11.9 pttm -71.08 -20.28 62.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -90.11 -31.0 17.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.08 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.688 ' O ' HG22 ' A' ' 36' ' ' THR . 2.0 pp -80.71 -21.27 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD11 ' HG ' ' A' ' 30' ' ' LEU . 28.2 mt -84.08 -30.06 26.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -83.55 -9.6 58.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.388 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 33' ' ' LEU . 12.3 t -54.04 -28.83 41.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.825 0.345 . . . . 0.0 111.024 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 61.89 43.36 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' H ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -59.22 -29.59 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.724 179.764 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -137.64 167.47 20.34 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.517 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 32.9 Cg_endo -64.65 70.94 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.527 2.151 . . . . 0.0 112.578 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 26.4 p90 -140.1 151.61 45.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.87 166.59 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.761 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -140.14 124.04 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.824 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.8 mm-40 -96.92 93.7 6.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.363 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.56 117.57 5.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.915 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.75 -35.85 51.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -125.1 145.86 49.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.6 p -126.57 97.0 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.04 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.87 33.72 19.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -44.13 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.26 90.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.8 23.18 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.51 -9.29 1.54 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.758 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -140.27 117.93 11.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -109.25 109.27 20.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.701 ' HA ' HD12 ' A' ' 21' ' ' ILE . 70.5 m -81.83 132.17 35.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.171 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -140.28 142.19 35.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.749 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 4.4 m120 -108.55 158.12 17.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.7 t -136.89 109.98 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.339 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.09 106.81 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.43 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ttt -135.18 150.02 50.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.009 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -79.89 99.86 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.592 HG22 HD12 ' A' ' 72' ' ' ILE . 52.0 t -81.18 145.05 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.815 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 22.7 t -114.67 -30.82 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.05 -171.08 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.982 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.786 ' HB3' HG21 ' A' ' 10' ' ' ILE . 10.6 pt-20 -58.12 -30.68 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 m -58.21 -52.48 65.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.533 ' O ' HG13 ' A' ' 72' ' ' ILE . 7.4 mm-40 -64.57 -52.83 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -42.9 -40.24 2.86 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.445 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.49 -34.17 73.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' GLU . 2.1 tt0 -78.65 -38.61 39.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.592 HD12 HG22 ' A' ' 63' ' ' VAL . 3.5 mt -65.91 -27.23 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.0 -47.38 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.255 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -27.27 65.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.204 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -76.88 -43.09 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.024 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.412 HG12 HG21 ' A' ' 20' ' ' VAL . 6.2 tp -68.52 -34.93 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.378 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.458 ' HA ' HG21 ' A' ' 82' ' ' VAL . 30.9 t -99.56 27.15 5.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.834 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -67.21 -31.76 72.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.57 -175.67 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.95 29.32 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.492 ' HE2' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -98.76 -58.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 22' ' ' MET . 29.6 m -50.52 136.95 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.468 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.753 HG21 ' OG1' ' A' ' 23' ' ' THR . 94.0 t -123.81 -43.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -120.27 126.84 51.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.957 HG22 HG13 ' A' ' 20' ' ' VAL . 58.0 p -119.36 159.36 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.677 HD13 ' HB2' ' A' ' 19' ' ' ARG . 10.8 tp . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.694 0.283 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.77 -27.66 31.27 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.577 2.184 . . . . 0.0 112.267 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -105.54 124.15 49.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -120.05 105.38 10.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -73.85 -72.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm 63.17 144.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.45 132.56 7.31 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.78 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' O ' HG22 ' A' ' 9' ' ' THR . 59.7 Cg_endo -72.15 -35.9 6.35 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.463 2.109 . . . . 0.0 112.45 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 8' ' ' PRO . 9.5 t 44.39 48.18 8.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.348 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.9 HG21 ' HB3' ' A' ' 66' ' ' GLU . 13.8 mm -144.68 98.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.5 mm -143.41 99.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.078 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.682 ' CE2' HG23 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -142.77 89.63 8.02 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.797 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 66.7 Cg_endo -87.01 68.31 4.13 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.656 2.237 . . . . 0.0 112.401 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -141.1 161.97 36.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.663 HD23 ' C ' ' A' ' 61' ' ' MET . 0.6 OUTLIER -71.6 116.88 12.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -114.07 138.59 50.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.13 155.9 19.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -138.88 101.52 4.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.434 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -69.88 106.32 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.573 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.837 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.6 t -122.45 126.09 73.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.5 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.837 HD13 ' C ' ' A' ' 20' ' ' VAL . 1.2 mm -114.51 142.27 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.813 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.823 ' HG2' HG12 ' A' ' 82' ' ' VAL . 3.8 mtt -118.18 142.9 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.514 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.465 ' OG1' HG21 ' A' ' 83' ' ' VAL . 8.2 p -122.29 69.63 0.96 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.751 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.432 HG21 ' HD3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -145.13 154.1 42.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.33 27.25 4.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.949 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.72 38.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.462 HG22 ' HB3' ' A' ' 81' ' ' LYS . 71.1 p -76.28 -5.11 45.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.419 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -49.99 -31.25 12.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 30' ' ' LEU . 8.8 t -67.94 -44.88 75.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.758 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.673 HD23 ' SD ' ' A' ' 22' ' ' MET . 11.1 tp -77.07 -32.59 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' CE ' ' CZ ' ' A' ' 57' ' ' PHE . 15.4 mtpt -70.02 -21.45 63.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.15 -28.26 19.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.348 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 33' ' ' LEU . 2.6 pp -85.66 -26.3 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.266 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.677 HD13 HD22 ' A' ' 43' ' ' LEU . 4.4 pp -90.07 -20.55 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.197 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -27.66 21.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.251 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 33' ' ' LEU . 2.0 t -54.34 -23.75 16.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.446 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 66.06 42.77 3.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -54.43 -43.76 71.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' HG3' ' CE1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -111.11 170.19 5.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.59 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 39' ' ' ARG . 59.0 Cg_endo -72.42 61.67 3.49 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.436 2.091 . . . . 0.0 112.406 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.631 ' HE2' HD11 ' A' ' 43' ' ' LEU . 7.9 p90 -133.48 147.21 51.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -116.1 169.45 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.677 HD22 HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -140.24 132.05 27.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 7.9 mt-10 -99.21 93.77 6.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.971 0.415 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -59.73 130.4 46.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.962 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -92.05 -35.71 13.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -136.3 -177.91 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 p -144.04 83.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 p 57.95 21.65 7.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.263 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.22 -45.49 5.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -64.44 91.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.5 55.82 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 2.5 mtpt -167.34 -54.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 7.3 m-85 -140.02 115.86 10.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.77 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -80.22 109.16 14.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.553 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.678 ' HA ' HD12 ' A' ' 21' ' ' ILE . 22.9 t -92.13 128.33 37.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.273 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CZ ' ' CE ' ' A' ' 31' ' ' LYS . 35.5 m-85 -145.78 133.94 21.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.576 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.3 t-20 -96.6 162.72 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.418 HG21 HD13 ' A' ' 76' ' ' ILE . 3.0 t -138.07 109.97 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.22 101.82 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.501 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.663 ' C ' HD23 ' A' ' 15' ' ' LEU . 7.2 ttt -123.78 144.92 49.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.005 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.44 100.01 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 93.1 t -85.55 141.64 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.976 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 3.0 p -110.68 -31.27 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.45 -176.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.9 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -56.33 -29.59 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -51.01 65.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.521 ' O ' HG13 ' A' ' 72' ' ' ILE . 5.6 mm-40 -68.85 -49.03 61.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.593 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -42.49 -40.41 2.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.442 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -31.98 59.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.4 mt-10 -76.61 -45.09 31.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 68' ' ' GLU . 2.4 mt -63.07 -28.18 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.216 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.18 -46.7 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.348 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -66.1 -30.37 70.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.249 -179.636 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -75.5 -57.46 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 72' ' ' ILE . 2.4 tp -56.73 -36.34 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.056 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.865 ' HA ' HG21 ' A' ' 82' ' ' VAL . 67.1 m -103.77 24.95 10.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.48 -31.57 60.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -77.57 -176.93 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.24 -19.96 16.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -53.05 -68.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 111.124 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.865 HG21 ' HA ' ' A' ' 77' ' ' SER . 26.1 m -47.46 136.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.478 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.465 HG21 ' OG1' ' A' ' 23' ' ' THR . 69.6 t -128.46 -40.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -100.28 113.92 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.8 p -120.33 114.76 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.884 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.69 0.281 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.63 -34.25 5.8 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.533 2.155 . . . . 0.0 112.255 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -59.54 105.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t0 59.88 83.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -163.02 174.02 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.5 126.55 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.53 159.32 17.68 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.01 -18.47 43.29 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.508 2.138 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.3 m -80.07 69.71 6.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.956 0.408 . . . . 0.0 110.564 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.873 HG21 ' HB3' ' A' ' 66' ' ' GLU . 26.6 mm -139.81 97.04 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.023 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 10' ' ' ILE . 12.2 mm -143.82 99.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.977 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.729 ' CE2' HG23 ' A' ' 10' ' ' ILE . 1.1 p90 -135.11 89.58 23.49 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.504 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 66.3 Cg_endo -87.67 68.58 3.57 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.471 2.114 . . . . 0.0 112.443 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.55 162.98 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.604 HD13 ' HA ' ' A' ' 62' ' ' GLU . 4.3 mm? -71.05 121.14 17.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -118.51 141.25 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.1 147.39 23.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.563 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.458 ' CD1' ' CZ ' ' A' ' 73' ' ' PHE . 61.2 m-85 -128.65 109.16 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.029 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.537 ' HD2' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -75.86 101.4 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.565 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.76 HG13 HG22 ' A' ' 85' ' ' THR . 20.2 t -118.24 117.69 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.488 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 56' ' ' SER . 2.3 mm -108.75 136.22 45.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.567 ' HG3' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -112.43 146.04 39.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.946 0.403 . . . . 0.0 110.752 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.65 ' OG1' HG21 ' A' ' 83' ' ' VAL . 10.4 p -122.78 69.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.668 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.701 HG21 ' HD2' ' A' ' 81' ' ' LYS . 3.0 m -134.51 157.27 46.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.056 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -100.67 29.89 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -162.79 49.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -77.15 -4.97 47.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.399 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -50.69 -30.3 13.39 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.488 ' O ' HD23 ' A' ' 33' ' ' LEU . 9.6 t -74.43 -30.21 61.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.653 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.47 -36.38 57.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -59.29 -31.63 69.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -83.74 -28.61 28.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 36' ' ' THR . 1.7 mm? -74.73 -28.81 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.653 HD11 HD22 ' A' ' 30' ' ' LEU . 2.9 mt -89.94 -29.83 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -75.86 -13.16 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.488 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 33' ' ' LEU . 8.4 t -56.75 -41.24 77.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.858 0.361 . . . . 0.0 111.096 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 58.86 42.54 19.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.62 -48.43 81.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.07 171.37 4.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.65 74.8 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.765 2.31 . . . . 0.0 112.475 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -140.02 152.45 46.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.997 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -135.38 162.47 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.677 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB3' ' A' ' 34' ' ' LEU . 1.4 mp -140.16 129.19 23.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 58' ' ' ASN . 1.5 mm-40 -99.62 92.81 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.558 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -59.65 115.06 3.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.908 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -35.71 72.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -131.1 -176.91 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 p -111.42 -78.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 p -152.34 31.22 0.53 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -99.29 -48.14 4.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -73.08 71.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.818 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.87 -27.79 69.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -66.78 -61.11 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -129.73 115.08 16.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -88.2 109.25 19.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.645 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.782 ' HA ' HD12 ' A' ' 21' ' ' ILE . 74.1 m -86.05 129.32 34.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.173 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -142.93 131.47 22.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 3.9 m-20 -96.03 161.32 14.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.755 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.9 t -139.82 113.71 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.549 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.17 101.0 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.264 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.2 ttt -121.79 150.66 41.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.604 ' HA ' HD13 ' A' ' 15' ' ' LEU . 3.7 mt-10 -69.9 99.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.716 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.499 HG22 HD12 ' A' ' 72' ' ' ILE . 45.6 t -87.36 136.89 22.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 45.5 t -107.7 -31.31 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.97 -172.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.873 ' HB3' HG21 ' A' ' 10' ' ' ILE . 14.7 pt-20 -57.3 -32.16 66.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.024 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.2 m -56.33 -52.96 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.78 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.596 ' O ' HG13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -64.09 -51.76 62.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.312 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -42.36 -37.29 1.51 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.542 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -29.92 57.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -82.41 -33.93 28.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 68' ' ' GLU . 5.5 mt -71.32 -27.22 28.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.271 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.458 ' CZ ' ' CD1' ' A' ' 18' ' ' TYR . 2.7 m-85 -80.22 -46.24 16.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.477 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 15.4 pt20 -70.42 -29.47 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.236 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -75.21 -39.57 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 73' ' ' PHE . 4.7 tp -71.72 -32.88 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.7 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.423 ' CB ' HG21 ' A' ' 82' ' ' VAL . 17.3 m -100.36 23.91 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.929 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -65.74 -30.96 71.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.14 -176.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.24 30.81 7.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.701 ' HD2' HG21 ' A' ' 24' ' ' THR . 34.0 mmtm -109.27 -52.56 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.567 HG12 ' HG3' ' A' ' 22' ' ' MET . 28.0 m -49.4 125.52 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.412 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.65 HG21 ' OG1' ' A' ' 23' ' ' THR . 81.3 t -120.64 -35.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.92 110.44 19.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.018 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.76 HG22 HG13 ' A' ' 20' ' ' VAL . 23.5 p -122.32 156.42 33.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 stop_ save_